Rhodium in PDB 7qhr: Unexpected Imidazole Coordination to Dirhodium Tetraacetate Complex in A Protein Environment: Insights From X-Ray Crystallography and Quantum Chemistry
Enzymatic activity of Unexpected Imidazole Coordination to Dirhodium Tetraacetate Complex in A Protein Environment: Insights From X-Ray Crystallography and Quantum Chemistry
All present enzymatic activity of Unexpected Imidazole Coordination to Dirhodium Tetraacetate Complex in A Protein Environment: Insights From X-Ray Crystallography and Quantum Chemistry:
4.6.1.18;
Protein crystallography data
The structure of Unexpected Imidazole Coordination to Dirhodium Tetraacetate Complex in A Protein Environment: Insights From X-Ray Crystallography and Quantum Chemistry, PDB code: 7qhr
was solved by
D.Loreto,
A.Merlino,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
50.30 /
1.40
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
100.5,
32.53,
72.2,
90,
90.3,
90
|
R / Rfree (%)
|
19 /
23.1
|
Rhodium Binding Sites:
The binding sites of Rhodium atom in the Unexpected Imidazole Coordination to Dirhodium Tetraacetate Complex in A Protein Environment: Insights From X-Ray Crystallography and Quantum Chemistry
(pdb code 7qhr). This binding sites where shown within
5.0 Angstroms radius around Rhodium atom.
In total 10 binding sites of Rhodium where determined in the
Unexpected Imidazole Coordination to Dirhodium Tetraacetate Complex in A Protein Environment: Insights From X-Ray Crystallography and Quantum Chemistry, PDB code: 7qhr:
Jump to Rhodium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Rhodium binding site 1 out
of 10 in 7qhr
Go back to
Rhodium Binding Sites List in 7qhr
Rhodium binding site 1 out
of 10 in the Unexpected Imidazole Coordination to Dirhodium Tetraacetate Complex in A Protein Environment: Insights From X-Ray Crystallography and Quantum Chemistry
Mono view
Stereo pair view
|
A full contact list of Rhodium with other atoms in the Rh binding
site number 1 of Unexpected Imidazole Coordination to Dirhodium Tetraacetate Complex in A Protein Environment: Insights From X-Ray Crystallography and Quantum Chemistry within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Rh201
b:24.8
occ:0.80
|
RH1
|
A:D1O201
|
0.0
|
24.8
|
0.8
|
HD1
|
A:HIS119
|
1.5
|
20.1
|
0.0
|
O0
|
A:D1O201
|
2.1
|
30.5
|
0.8
|
O3
|
A:D1O201
|
2.1
|
34.0
|
0.8
|
O7
|
A:D1O201
|
2.1
|
27.8
|
0.8
|
O1
|
A:D1O201
|
2.1
|
22.8
|
0.8
|
ND1
|
A:HIS119
|
2.3
|
20.1
|
1.0
|
RH2
|
A:D1O201
|
2.4
|
30.5
|
0.8
|
C5
|
A:D1O201
|
2.7
|
35.0
|
0.8
|
C3
|
A:D1O201
|
2.9
|
28.4
|
0.8
|
C1
|
A:D1O201
|
3.0
|
24.1
|
0.8
|
O2
|
A:D1O201
|
3.1
|
27.1
|
0.8
|
O9
|
A:D1O201
|
3.1
|
34.7
|
0.8
|
CE1
|
A:HIS119
|
3.1
|
26.7
|
1.0
|
O8
|
A:D1O201
|
3.1
|
33.5
|
0.8
|
HE1
|
A:HIS119
|
3.2
|
24.3
|
1.0
|
O4
|
A:D1O201
|
3.2
|
34.3
|
0.8
|
HB2
|
A:HIS119
|
3.3
|
17.4
|
1.0
|
CG
|
A:HIS119
|
3.4
|
19.4
|
1.0
|
O
|
A:HOH359
|
3.7
|
40.2
|
1.0
|
CB
|
A:HIS119
|
3.8
|
18.2
|
1.0
|
HA
|
A:HIS119
|
3.9
|
15.1
|
1.0
|
O
|
A:HOH334
|
3.9
|
19.7
|
1.0
|
C6
|
A:D1O201
|
4.1
|
40.5
|
0.8
|
NE2
|
A:HIS119
|
4.3
|
24.7
|
1.0
|
C4
|
A:D1O201
|
4.4
|
32.9
|
0.8
|
CA
|
A:HIS119
|
4.4
|
14.0
|
1.0
|
C2
|
A:D1O201
|
4.4
|
20.7
|
0.8
|
CD2
|
A:HIS119
|
4.5
|
22.6
|
1.0
|
O
|
A:VAL118
|
4.6
|
16.9
|
1.0
|
HB3
|
A:HIS119
|
4.6
|
17.4
|
1.0
|
H
|
A:PHE120
|
4.9
|
14.0
|
1.0
|
O
|
A:HOH323
|
5.0
|
39.0
|
0.8
|
O
|
A:HOH350
|
5.0
|
35.5
|
1.0
|
|
Rhodium binding site 2 out
of 10 in 7qhr
Go back to
Rhodium Binding Sites List in 7qhr
Rhodium binding site 2 out
of 10 in the Unexpected Imidazole Coordination to Dirhodium Tetraacetate Complex in A Protein Environment: Insights From X-Ray Crystallography and Quantum Chemistry
Mono view
Stereo pair view
|
A full contact list of Rhodium with other atoms in the Rh binding
site number 2 of Unexpected Imidazole Coordination to Dirhodium Tetraacetate Complex in A Protein Environment: Insights From X-Ray Crystallography and Quantum Chemistry within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Rh201
b:30.5
occ:0.80
|
RH2
|
A:D1O201
|
0.0
|
30.5
|
0.8
|
O9
|
A:D1O201
|
2.1
|
34.7
|
0.8
|
O4
|
A:D1O201
|
2.1
|
34.3
|
0.8
|
O2
|
A:D1O201
|
2.1
|
27.1
|
0.8
|
O8
|
A:D1O201
|
2.1
|
33.5
|
0.8
|
RH1
|
A:D1O201
|
2.4
|
24.8
|
0.8
|
O
|
A:HOH323
|
2.6
|
39.0
|
0.8
|
C5
|
A:D1O201
|
2.8
|
35.0
|
0.8
|
C3
|
A:D1O201
|
2.9
|
28.4
|
0.8
|
C1
|
A:D1O201
|
3.0
|
24.1
|
0.8
|
HZ1
|
A:LYS7
|
3.0
|
39.2
|
1.0
|
O7
|
A:D1O201
|
3.1
|
27.8
|
0.8
|
O1
|
A:D1O201
|
3.1
|
22.8
|
0.8
|
O0
|
A:D1O201
|
3.2
|
30.5
|
0.8
|
O3
|
A:D1O201
|
3.5
|
34.0
|
0.8
|
NZ
|
A:LYS7
|
3.8
|
39.0
|
1.0
|
HD1
|
A:HIS119
|
3.8
|
20.1
|
0.0
|
HZ3
|
A:LYS7
|
3.9
|
39.2
|
1.0
|
O
|
A:HOH382
|
4.0
|
45.3
|
1.0
|
HZ2
|
A:LYS7
|
4.2
|
39.2
|
1.0
|
C6
|
A:D1O201
|
4.3
|
40.5
|
0.8
|
HD3
|
A:LYS7
|
4.3
|
34.2
|
1.0
|
C4
|
A:D1O201
|
4.3
|
32.9
|
0.8
|
C2
|
A:D1O201
|
4.4
|
20.7
|
0.8
|
ND1
|
A:HIS119
|
4.7
|
20.1
|
1.0
|
CE
|
A:LYS7
|
4.9
|
39.7
|
1.0
|
|
Rhodium binding site 3 out
of 10 in 7qhr
Go back to
Rhodium Binding Sites List in 7qhr
Rhodium binding site 3 out
of 10 in the Unexpected Imidazole Coordination to Dirhodium Tetraacetate Complex in A Protein Environment: Insights From X-Ray Crystallography and Quantum Chemistry
Mono view
Stereo pair view
|
A full contact list of Rhodium with other atoms in the Rh binding
site number 3 of Unexpected Imidazole Coordination to Dirhodium Tetraacetate Complex in A Protein Environment: Insights From X-Ray Crystallography and Quantum Chemistry within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Rh202
b:30.6
occ:0.50
|
RH3
|
A:D3I202
|
0.0
|
30.6
|
0.5
|
HE2
|
A:HIS105
|
1.1
|
16.9
|
0.0
|
C5
|
A:CJI203
|
1.4
|
25.9
|
0.5
|
HE1
|
A:HIS105
|
1.5
|
17.6
|
0.5
|
NE2
|
A:HIS105
|
2.0
|
16.8
|
0.5
|
CE1
|
A:HIS105
|
2.1
|
17.2
|
0.5
|
C4
|
A:CJI203
|
2.1
|
25.2
|
0.5
|
O14
|
A:D3I202
|
2.1
|
30.1
|
0.5
|
O15
|
A:D3I202
|
2.1
|
31.8
|
0.5
|
N1
|
A:CJI203
|
2.2
|
24.4
|
0.5
|
RH4
|
A:D3I202
|
2.5
|
53.5
|
0.5
|
O14
|
A:CJI203
|
2.7
|
29.4
|
0.5
|
NE2
|
A:HIS105
|
2.8
|
18.6
|
0.5
|
CE1
|
A:HIS105
|
2.9
|
20.3
|
0.5
|
O10
|
A:CJI203
|
2.9
|
25.5
|
0.5
|
N2
|
A:CJI203
|
2.9
|
28.0
|
0.5
|
ND1
|
A:HIS105
|
2.9
|
17.6
|
0.5
|
C3
|
A:CJI203
|
3.0
|
26.9
|
0.5
|
HE2
|
A:HIS105
|
3.0
|
18.6
|
0.0
|
HE1
|
A:HIS105
|
3.0
|
18.5
|
0.5
|
CD2
|
A:HIS105
|
3.1
|
19.1
|
0.5
|
HD1
|
A:HIS105
|
3.2
|
17.7
|
0.0
|
RH3
|
A:CJI203
|
3.3
|
25.4
|
0.5
|
HD2
|
A:HIS105
|
3.3
|
18.0
|
0.5
|
O
|
A:HOH301
|
3.6
|
45.4
|
0.5
|
RH4
|
A:CJI203
|
3.6
|
23.1
|
0.5
|
CD2
|
A:HIS105
|
3.9
|
18.5
|
0.5
|
CG
|
A:HIS105
|
4.0
|
16.5
|
0.5
|
HG23
|
A:THR78
|
4.0
|
25.6
|
1.0
|
ND1
|
A:HIS105
|
4.0
|
16.6
|
0.5
|
O
|
A:HOH311
|
4.1
|
36.5
|
1.0
|
HG21
|
A:THR78
|
4.1
|
25.6
|
1.0
|
CG
|
A:HIS105
|
4.2
|
16.6
|
0.5
|
CG2
|
A:THR78
|
4.5
|
25.9
|
1.0
|
HG22
|
A:THR78
|
4.5
|
25.7
|
1.0
|
HD2
|
A:HIS105
|
4.7
|
18.0
|
0.5
|
O12
|
A:CJI203
|
4.8
|
27.5
|
0.5
|
HD1
|
A:HIS105
|
4.8
|
16.6
|
0.0
|
|
Rhodium binding site 4 out
of 10 in 7qhr
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Rhodium Binding Sites List in 7qhr
Rhodium binding site 4 out
of 10 in the Unexpected Imidazole Coordination to Dirhodium Tetraacetate Complex in A Protein Environment: Insights From X-Ray Crystallography and Quantum Chemistry
Mono view
Stereo pair view
|
A full contact list of Rhodium with other atoms in the Rh binding
site number 4 of Unexpected Imidazole Coordination to Dirhodium Tetraacetate Complex in A Protein Environment: Insights From X-Ray Crystallography and Quantum Chemistry within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Rh202
b:53.5
occ:0.50
|
RH4
|
A:D3I202
|
0.0
|
53.5
|
0.5
|
C5
|
A:CJI203
|
2.2
|
25.9
|
0.5
|
RH3
|
A:D3I202
|
2.5
|
30.6
|
0.5
|
O14
|
A:CJI203
|
2.6
|
29.4
|
0.5
|
C4
|
A:CJI203
|
2.7
|
25.2
|
0.5
|
O15
|
A:D3I202
|
3.2
|
31.8
|
0.5
|
N1
|
A:CJI203
|
3.3
|
24.4
|
0.5
|
O14
|
A:D3I202
|
3.4
|
30.1
|
0.5
|
HE2
|
A:HIS105
|
3.6
|
16.9
|
0.0
|
O
|
A:HOH301
|
3.6
|
45.4
|
0.5
|
HE1
|
A:HIS105
|
3.8
|
17.6
|
0.5
|
N2
|
A:CJI203
|
4.0
|
28.0
|
0.5
|
O10
|
A:CJI203
|
4.1
|
25.5
|
0.5
|
RH3
|
A:CJI203
|
4.1
|
25.4
|
0.5
|
C3
|
A:CJI203
|
4.3
|
26.9
|
0.5
|
NE2
|
A:HIS105
|
4.4
|
16.8
|
0.5
|
CE1
|
A:HIS105
|
4.5
|
17.2
|
0.5
|
|
Rhodium binding site 5 out
of 10 in 7qhr
Go back to
Rhodium Binding Sites List in 7qhr
Rhodium binding site 5 out
of 10 in the Unexpected Imidazole Coordination to Dirhodium Tetraacetate Complex in A Protein Environment: Insights From X-Ray Crystallography and Quantum Chemistry
Mono view
Stereo pair view
|
A full contact list of Rhodium with other atoms in the Rh binding
site number 5 of Unexpected Imidazole Coordination to Dirhodium Tetraacetate Complex in A Protein Environment: Insights From X-Ray Crystallography and Quantum Chemistry within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Rh203
b:25.4
occ:0.50
|
RH3
|
A:CJI203
|
0.0
|
25.4
|
0.5
|
O15
|
A:D3I202
|
1.3
|
31.8
|
0.5
|
O12
|
A:CJI203
|
2.1
|
27.5
|
0.5
|
O14
|
A:CJI203
|
2.1
|
29.4
|
0.5
|
N1
|
A:CJI203
|
2.1
|
24.4
|
0.5
|
O9
|
A:CJI203
|
2.1
|
25.6
|
0.5
|
O
|
A:HOH301
|
2.2
|
45.4
|
0.5
|
RH4
|
A:CJI203
|
2.4
|
23.1
|
0.5
|
HO9
|
A:CJI203
|
2.7
|
25.6
|
0.0
|
C5
|
A:CJI203
|
2.9
|
25.9
|
0.5
|
C1
|
A:CJI203
|
3.0
|
28.9
|
0.5
|
O10
|
A:CJI203
|
3.0
|
25.5
|
0.5
|
HE2
|
A:HIS105
|
3.0
|
18.6
|
0.0
|
O15
|
A:CJI203
|
3.1
|
26.7
|
0.5
|
O11
|
A:CJI203
|
3.2
|
26.2
|
0.5
|
C3
|
A:CJI203
|
3.2
|
26.9
|
0.5
|
RH3
|
A:D3I202
|
3.3
|
30.6
|
0.5
|
NE2
|
A:HIS105
|
3.6
|
18.6
|
0.5
|
HE2
|
A:HIS105
|
3.6
|
16.9
|
0.0
|
HE1
|
A:HIS105
|
3.9
|
18.5
|
0.5
|
NE2
|
A:HIS105
|
3.9
|
16.8
|
0.5
|
HE1
|
A:HIS105
|
4.1
|
17.6
|
0.5
|
RH4
|
A:D3I202
|
4.1
|
53.5
|
0.5
|
C4
|
A:CJI203
|
4.1
|
25.2
|
0.5
|
O14
|
A:D3I202
|
4.1
|
30.1
|
0.5
|
CE1
|
A:HIS105
|
4.1
|
17.2
|
0.5
|
CE1
|
A:HIS105
|
4.1
|
20.3
|
0.5
|
N2
|
A:CJI203
|
4.3
|
28.0
|
0.5
|
C2
|
A:CJI203
|
4.4
|
27.6
|
0.5
|
CD2
|
A:HIS105
|
4.5
|
18.5
|
0.5
|
HD2
|
A:HIS105
|
4.8
|
18.0
|
0.5
|
O
|
A:HOH304
|
4.8
|
44.6
|
1.0
|
O
|
A:TYR76
|
4.9
|
18.8
|
1.0
|
CD2
|
A:HIS105
|
4.9
|
19.1
|
0.5
|
|
Rhodium binding site 6 out
of 10 in 7qhr
Go back to
Rhodium Binding Sites List in 7qhr
Rhodium binding site 6 out
of 10 in the Unexpected Imidazole Coordination to Dirhodium Tetraacetate Complex in A Protein Environment: Insights From X-Ray Crystallography and Quantum Chemistry
Mono view
Stereo pair view
|
A full contact list of Rhodium with other atoms in the Rh binding
site number 6 of Unexpected Imidazole Coordination to Dirhodium Tetraacetate Complex in A Protein Environment: Insights From X-Ray Crystallography and Quantum Chemistry within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Rh203
b:23.1
occ:0.50
|
RH4
|
A:CJI203
|
0.0
|
23.1
|
0.5
|
HE2
|
A:HIS105
|
1.3
|
18.6
|
0.0
|
O11
|
A:CJI203
|
2.1
|
26.2
|
0.5
|
O15
|
A:CJI203
|
2.1
|
26.7
|
0.5
|
O10
|
A:CJI203
|
2.1
|
25.5
|
0.5
|
HE1
|
A:HIS105
|
2.1
|
18.5
|
0.5
|
NE2
|
A:HIS105
|
2.2
|
18.6
|
0.5
|
O15
|
A:D3I202
|
2.3
|
31.8
|
0.5
|
RH3
|
A:CJI203
|
2.4
|
25.4
|
0.5
|
O
|
A:TYR76
|
2.5
|
18.8
|
1.0
|
CE1
|
A:HIS105
|
2.6
|
20.3
|
0.5
|
HO9
|
A:CJI203
|
2.7
|
25.6
|
0.0
|
C1
|
A:CJI203
|
2.8
|
28.9
|
0.5
|
O9
|
A:CJI203
|
3.0
|
25.6
|
0.5
|
O12
|
A:CJI203
|
3.0
|
27.5
|
0.5
|
CD2
|
A:HIS105
|
3.1
|
18.5
|
0.5
|
CE1
|
A:HIS105
|
3.2
|
17.2
|
0.5
|
NE2
|
A:HIS105
|
3.2
|
16.8
|
0.5
|
HD2
|
A:HIS105
|
3.3
|
18.0
|
0.5
|
HD21
|
B:ASN34
|
3.3
|
27.2
|
1.0
|
HE2
|
A:HIS105
|
3.3
|
16.9
|
0.0
|
O14
|
A:CJI203
|
3.4
|
29.4
|
0.5
|
HE1
|
A:HIS105
|
3.4
|
17.6
|
0.5
|
N1
|
A:CJI203
|
3.4
|
24.4
|
0.5
|
ND1
|
A:HIS105
|
3.5
|
16.6
|
0.5
|
O14
|
A:D3I202
|
3.5
|
30.1
|
0.5
|
HA
|
A:TYR76
|
3.5
|
16.2
|
1.0
|
C
|
A:TYR76
|
3.5
|
16.9
|
1.0
|
RH3
|
A:D3I202
|
3.6
|
30.6
|
0.5
|
HD1
|
A:HIS105
|
3.7
|
16.6
|
0.0
|
HD22
|
B:ASN34
|
3.9
|
27.2
|
1.0
|
ND2
|
B:ASN34
|
3.9
|
28.6
|
1.0
|
CA
|
A:TYR76
|
4.1
|
16.8
|
1.0
|
C5
|
A:CJI203
|
4.1
|
25.9
|
0.5
|
C3
|
A:CJI203
|
4.3
|
26.9
|
0.5
|
CD2
|
A:HIS105
|
4.3
|
19.1
|
0.5
|
ND1
|
A:HIS105
|
4.3
|
17.6
|
0.5
|
CG
|
A:HIS105
|
4.3
|
16.5
|
0.5
|
C2
|
A:CJI203
|
4.3
|
27.6
|
0.5
|
O
|
A:HOH304
|
4.4
|
44.6
|
1.0
|
CG
|
A:HIS105
|
4.4
|
16.6
|
0.5
|
O
|
A:HOH301
|
4.4
|
45.4
|
0.5
|
HB3
|
A:TYR76
|
4.4
|
15.9
|
1.0
|
HA
|
A:SER77
|
4.5
|
19.7
|
0.5
|
HA
|
A:SER77
|
4.5
|
20.6
|
0.5
|
O
|
A:SER75
|
4.6
|
17.0
|
1.0
|
HD1
|
A:TYR76
|
4.6
|
15.0
|
1.0
|
N
|
A:SER77
|
4.6
|
18.3
|
0.5
|
N
|
A:SER77
|
4.7
|
18.7
|
0.5
|
CB
|
A:TYR76
|
4.9
|
15.8
|
1.0
|
HE22
|
A:GLN74
|
5.0
|
23.2
|
1.0
|
|
Rhodium binding site 7 out
of 10 in 7qhr
Go back to
Rhodium Binding Sites List in 7qhr
Rhodium binding site 7 out
of 10 in the Unexpected Imidazole Coordination to Dirhodium Tetraacetate Complex in A Protein Environment: Insights From X-Ray Crystallography and Quantum Chemistry
Mono view
Stereo pair view
|
A full contact list of Rhodium with other atoms in the Rh binding
site number 7 of Unexpected Imidazole Coordination to Dirhodium Tetraacetate Complex in A Protein Environment: Insights From X-Ray Crystallography and Quantum Chemistry within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Rh201
b:20.0
occ:0.55
|
RH1
|
B:D1O201
|
0.0
|
20.0
|
0.6
|
HD1
|
B:HIS119
|
1.4
|
24.6
|
0.0
|
O3
|
B:D1O201
|
2.1
|
24.9
|
0.6
|
O1
|
B:D1O201
|
2.1
|
19.6
|
0.6
|
O0
|
B:D1O201
|
2.1
|
20.4
|
0.6
|
O7
|
B:D1O201
|
2.1
|
26.3
|
0.6
|
ND1
|
B:HIS119
|
2.2
|
24.6
|
1.0
|
RH2
|
B:D1O201
|
2.4
|
25.0
|
0.6
|
C5
|
B:D1O201
|
2.9
|
20.5
|
0.6
|
C3
|
B:D1O201
|
2.9
|
26.1
|
0.6
|
C1
|
B:D1O201
|
2.9
|
17.6
|
0.6
|
CE1
|
B:HIS119
|
3.0
|
27.1
|
1.0
|
HE1
|
B:HIS119
|
3.0
|
25.8
|
1.0
|
O2
|
B:D1O201
|
3.0
|
21.4
|
0.6
|
O9
|
B:D1O201
|
3.2
|
26.1
|
0.6
|
O8
|
B:D1O201
|
3.2
|
25.8
|
0.6
|
HB2
|
B:HIS119
|
3.3
|
16.7
|
1.0
|
CG
|
B:HIS119
|
3.3
|
21.5
|
1.0
|
O4
|
B:D1O201
|
3.4
|
26.0
|
0.6
|
O
|
B:HOH304
|
3.6
|
49.0
|
1.0
|
CB
|
B:HIS119
|
3.7
|
16.2
|
1.0
|
HA
|
B:HIS119
|
3.8
|
13.9
|
1.0
|
O
|
B:HOH310
|
3.8
|
19.9
|
1.0
|
NE2
|
B:HIS119
|
4.2
|
24.9
|
1.0
|
C6
|
B:D1O201
|
4.3
|
20.9
|
0.6
|
CA
|
B:HIS119
|
4.3
|
13.6
|
1.0
|
O
|
B:HOH301
|
4.3
|
50.0
|
1.0
|
CD2
|
B:HIS119
|
4.3
|
24.4
|
1.0
|
C4
|
B:D1O201
|
4.4
|
27.0
|
0.6
|
C2
|
B:D1O201
|
4.4
|
15.2
|
0.6
|
O
|
B:VAL118
|
4.5
|
16.4
|
1.0
|
HB3
|
B:HIS119
|
4.6
|
16.6
|
1.0
|
O
|
B:HOH368
|
4.7
|
25.5
|
0.6
|
H
|
B:PHE120
|
4.7
|
13.9
|
1.0
|
O
|
B:HOH345
|
4.8
|
40.0
|
1.0
|
HE2
|
B:HIS119
|
4.9
|
24.9
|
0.0
|
|
Rhodium binding site 8 out
of 10 in 7qhr
Go back to
Rhodium Binding Sites List in 7qhr
Rhodium binding site 8 out
of 10 in the Unexpected Imidazole Coordination to Dirhodium Tetraacetate Complex in A Protein Environment: Insights From X-Ray Crystallography and Quantum Chemistry
Mono view
Stereo pair view
|
A full contact list of Rhodium with other atoms in the Rh binding
site number 8 of Unexpected Imidazole Coordination to Dirhodium Tetraacetate Complex in A Protein Environment: Insights From X-Ray Crystallography and Quantum Chemistry within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Rh201
b:25.0
occ:0.55
|
RH2
|
B:D1O201
|
0.0
|
25.0
|
0.6
|
O9
|
B:D1O201
|
2.1
|
26.1
|
0.6
|
O8
|
B:D1O201
|
2.1
|
25.8
|
0.6
|
O4
|
B:D1O201
|
2.1
|
26.0
|
0.6
|
O2
|
B:D1O201
|
2.1
|
21.4
|
0.6
|
O
|
B:HOH368
|
2.3
|
25.5
|
0.6
|
RH1
|
B:D1O201
|
2.4
|
20.0
|
0.6
|
C5
|
B:D1O201
|
2.8
|
20.5
|
0.6
|
C3
|
B:D1O201
|
2.9
|
26.1
|
0.6
|
C1
|
B:D1O201
|
3.0
|
17.6
|
0.6
|
O7
|
B:D1O201
|
3.0
|
26.3
|
0.6
|
O0
|
B:D1O201
|
3.1
|
20.4
|
0.6
|
O1
|
B:D1O201
|
3.1
|
19.6
|
0.6
|
O3
|
B:D1O201
|
3.2
|
24.9
|
0.6
|
HE2
|
B:LYS7
|
3.5
|
31.1
|
1.0
|
HZ3
|
B:LYS7
|
3.7
|
35.3
|
1.0
|
HD1
|
B:HIS119
|
3.8
|
24.6
|
0.0
|
O
|
B:HOH323
|
3.9
|
47.0
|
1.0
|
HD3
|
B:LYS7
|
4.2
|
25.4
|
1.0
|
CE
|
B:LYS7
|
4.2
|
31.4
|
1.0
|
NZ
|
B:LYS7
|
4.3
|
37.2
|
1.0
|
HZ2
|
B:LYS7
|
4.3
|
35.3
|
1.0
|
C4
|
B:D1O201
|
4.3
|
27.0
|
0.6
|
C6
|
B:D1O201
|
4.3
|
20.9
|
0.6
|
C2
|
B:D1O201
|
4.5
|
15.2
|
0.6
|
ND1
|
B:HIS119
|
4.6
|
24.6
|
1.0
|
HE21
|
B:GLN11
|
4.6
|
25.5
|
1.0
|
O
|
B:HOH317
|
4.7
|
25.8
|
1.0
|
O
|
B:HOH413
|
4.8
|
57.1
|
1.0
|
CD
|
B:LYS7
|
4.8
|
25.5
|
1.0
|
|
Rhodium binding site 9 out
of 10 in 7qhr
Go back to
Rhodium Binding Sites List in 7qhr
Rhodium binding site 9 out
of 10 in the Unexpected Imidazole Coordination to Dirhodium Tetraacetate Complex in A Protein Environment: Insights From X-Ray Crystallography and Quantum Chemistry
Mono view
Stereo pair view
|
A full contact list of Rhodium with other atoms in the Rh binding
site number 9 of Unexpected Imidazole Coordination to Dirhodium Tetraacetate Complex in A Protein Environment: Insights From X-Ray Crystallography and Quantum Chemistry within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Rh202
b:37.4
occ:0.70
|
RH3
|
B:D5A202
|
0.0
|
37.4
|
0.7
|
O9
|
B:D5A202
|
2.0
|
32.5
|
0.7
|
O10
|
B:D5A202
|
2.1
|
32.4
|
0.7
|
O14
|
B:D5A202
|
2.1
|
34.2
|
0.7
|
O12
|
B:D5A202
|
2.1
|
32.8
|
0.7
|
RH4
|
B:D5A202
|
2.5
|
24.9
|
0.7
|
O
|
B:HOH312
|
2.8
|
41.2
|
0.7
|
C1
|
B:D5A202
|
3.1
|
35.2
|
0.7
|
O15
|
B:D5A202
|
3.1
|
37.2
|
0.7
|
O11
|
B:D5A202
|
3.3
|
25.1
|
0.7
|
O13
|
B:D5A202
|
3.5
|
18.1
|
0.7
|
N1
|
B:D5A202
|
3.5
|
23.9
|
0.7
|
H1
|
B:D5A202
|
3.7
|
17.8
|
0.0
|
HE2
|
B:HIS105
|
3.8
|
17.2
|
0.0
|
C3
|
B:D5A202
|
4.0
|
31.1
|
0.7
|
C5
|
B:D5A202
|
4.3
|
24.4
|
0.7
|
C2
|
B:D5A202
|
4.5
|
31.7
|
0.7
|
NE2
|
B:HIS105
|
4.6
|
17.2
|
1.0
|
N2
|
B:D5A202
|
5.0
|
28.3
|
0.7
|
|
Rhodium binding site 10 out
of 10 in 7qhr
Go back to
Rhodium Binding Sites List in 7qhr
Rhodium binding site 10 out
of 10 in the Unexpected Imidazole Coordination to Dirhodium Tetraacetate Complex in A Protein Environment: Insights From X-Ray Crystallography and Quantum Chemistry
Mono view
Stereo pair view
|
A full contact list of Rhodium with other atoms in the Rh binding
site number 10 of Unexpected Imidazole Coordination to Dirhodium Tetraacetate Complex in A Protein Environment: Insights From X-Ray Crystallography and Quantum Chemistry within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Rh202
b:24.9
occ:0.70
|
RH4
|
B:D5A202
|
0.0
|
24.9
|
0.7
|
HE2
|
B:HIS105
|
1.2
|
17.2
|
0.0
|
O13
|
B:D5A202
|
1.9
|
18.1
|
0.7
|
N1
|
B:D5A202
|
2.0
|
23.9
|
0.7
|
O15
|
B:D5A202
|
2.1
|
37.2
|
0.7
|
NE2
|
B:HIS105
|
2.1
|
17.2
|
1.0
|
O11
|
B:D5A202
|
2.1
|
25.1
|
0.7
|
RH3
|
B:D5A202
|
2.5
|
37.4
|
0.7
|
H1
|
B:D5A202
|
2.7
|
17.8
|
0.0
|
C3
|
B:D5A202
|
2.9
|
31.1
|
0.7
|
C1
|
B:D5A202
|
2.9
|
35.2
|
0.7
|
O12
|
B:D5A202
|
3.0
|
32.8
|
0.7
|
C5
|
B:D5A202
|
3.1
|
24.4
|
0.7
|
O10
|
B:D5A202
|
3.1
|
32.4
|
0.7
|
CD2
|
B:HIS105
|
3.1
|
18.7
|
1.0
|
CE1
|
B:HIS105
|
3.1
|
19.8
|
1.0
|
HD2
|
B:HIS105
|
3.3
|
18.0
|
1.0
|
O9
|
B:D5A202
|
3.3
|
32.5
|
0.7
|
HE1
|
B:HIS105
|
3.4
|
19.1
|
1.0
|
O14
|
B:D5A202
|
3.5
|
34.2
|
0.7
|
O
|
B:HOH379
|
4.0
|
43.1
|
1.0
|
N2
|
B:D5A202
|
4.0
|
28.3
|
0.7
|
C4
|
B:D5A202
|
4.1
|
26.7
|
0.7
|
ND1
|
B:HIS105
|
4.2
|
19.5
|
1.0
|
CG
|
B:HIS105
|
4.3
|
17.2
|
1.0
|
C2
|
B:D5A202
|
4.4
|
31.7
|
0.7
|
HG21
|
B:THR78
|
4.4
|
21.8
|
1.0
|
HG23
|
B:THR78
|
4.4
|
21.8
|
1.0
|
CG2
|
B:THR78
|
4.8
|
21.8
|
1.0
|
HG22
|
B:THR78
|
4.9
|
21.8
|
1.0
|
|
Reference:
D.Loreto,
F.Fasulo,
A.B.Munoz-Garcia,
M.Pavone,
A.Merlino.
Unexpected Imidazole Coordination to the Dirhodium Center in A Protein Environment: Insights From X-Ray Crystallography and Quantum Chemistry. Inorg.Chem. V. 61 8402 2022.
ISSN: ISSN 0020-1669
PubMed: 35609175
DOI: 10.1021/ACS.INORGCHEM.2C01370
Page generated: Thu Oct 10 12:37:34 2024
|