Rhodium in PDB 7qpy: X-Ray Structure of the Adduct Obtained Upon Reaction of [Cis- RH2(OCOCH3)2(OCOCF3)2] with Rnase A (3)
Enzymatic activity of X-Ray Structure of the Adduct Obtained Upon Reaction of [Cis- RH2(OCOCH3)2(OCOCF3)2] with Rnase A (3)
All present enzymatic activity of X-Ray Structure of the Adduct Obtained Upon Reaction of [Cis- RH2(OCOCH3)2(OCOCF3)2] with Rnase A (3):
4.6.1.18;
Protein crystallography data
The structure of X-Ray Structure of the Adduct Obtained Upon Reaction of [Cis- RH2(OCOCH3)2(OCOCF3)2] with Rnase A (3), PDB code: 7qpy
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)
|
50.12 /
1.42
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
100.22,
32.5,
72.38,
90,
90.41,
90
|
R / Rfree (%)
|
17.7 /
21.2
|
Other elements in 7qpy:
The structure of X-Ray Structure of the Adduct Obtained Upon Reaction of [Cis- RH2(OCOCH3)2(OCOCF3)2] with Rnase A (3) also contains other interesting chemical elements:
Rhodium Binding Sites:
The binding sites of Rhodium atom in the X-Ray Structure of the Adduct Obtained Upon Reaction of [Cis- RH2(OCOCH3)2(OCOCF3)2] with Rnase A (3)
(pdb code 7qpy). This binding sites where shown within
5.0 Angstroms radius around Rhodium atom.
In total 10 binding sites of Rhodium where determined in the
X-Ray Structure of the Adduct Obtained Upon Reaction of [Cis- RH2(OCOCH3)2(OCOCF3)2] with Rnase A (3), PDB code: 7qpy:
Jump to Rhodium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Rhodium binding site 1 out
of 10 in 7qpy
Go back to
Rhodium Binding Sites List in 7qpy
Rhodium binding site 1 out
of 10 in the X-Ray Structure of the Adduct Obtained Upon Reaction of [Cis- RH2(OCOCH3)2(OCOCF3)2] with Rnase A (3)
Mono view
Stereo pair view
|
A full contact list of Rhodium with other atoms in the Rh binding
site number 1 of X-Ray Structure of the Adduct Obtained Upon Reaction of [Cis- RH2(OCOCH3)2(OCOCF3)2] with Rnase A (3) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Rh201
b:17.7
occ:0.80
|
RH1
|
A:F5T201
|
0.0
|
17.7
|
0.8
|
HD1
|
A:HIS119
|
1.4
|
15.4
|
0.0
|
O1
|
A:F5T201
|
2.1
|
19.1
|
0.8
|
O7
|
A:F5T201
|
2.1
|
22.4
|
0.8
|
O3
|
A:F5T201
|
2.1
|
22.9
|
0.8
|
O0
|
A:F5T201
|
2.1
|
22.2
|
0.8
|
ND1
|
A:HIS119
|
2.3
|
15.5
|
1.0
|
RH2
|
A:F5T201
|
2.4
|
22.5
|
0.8
|
C5
|
A:F5T201
|
2.9
|
30.3
|
0.8
|
C1
|
A:F5T201
|
2.9
|
20.8
|
0.8
|
C3
|
A:F5T201
|
2.9
|
21.4
|
0.8
|
O2
|
A:F5T201
|
3.1
|
21.0
|
0.8
|
HB2
|
A:HIS119
|
3.1
|
12.3
|
1.0
|
O8
|
A:F5T201
|
3.1
|
23.0
|
0.8
|
O9
|
A:F5T201
|
3.1
|
24.5
|
0.8
|
O4
|
A:F5T201
|
3.2
|
25.5
|
0.8
|
CE1
|
A:HIS119
|
3.2
|
17.8
|
1.0
|
HE1
|
A:HIS119
|
3.3
|
16.4
|
1.0
|
CG
|
A:HIS119
|
3.3
|
13.7
|
1.0
|
CB
|
A:HIS119
|
3.6
|
12.4
|
1.0
|
O
|
A:HOH324
|
3.9
|
15.9
|
1.0
|
HA
|
A:HIS119
|
3.9
|
11.3
|
1.0
|
O
|
A:HOH380
|
4.0
|
23.8
|
1.0
|
CA
|
A:HIS119
|
4.3
|
11.0
|
1.0
|
C6
|
A:F5T201
|
4.3
|
39.0
|
0.8
|
NE2
|
A:HIS119
|
4.3
|
15.0
|
1.0
|
C2
|
A:F5T201
|
4.4
|
19.5
|
0.8
|
C4
|
A:F5T201
|
4.4
|
21.4
|
0.8
|
CD2
|
A:HIS119
|
4.4
|
15.5
|
1.0
|
HB3
|
A:HIS119
|
4.4
|
12.3
|
1.0
|
O
|
A:HOH316
|
4.5
|
35.3
|
1.0
|
O
|
A:HOH369
|
4.6
|
34.6
|
1.0
|
O
|
A:VAL118
|
4.6
|
12.9
|
1.0
|
F1
|
A:F5T201
|
4.7
|
44.9
|
0.8
|
O
|
A:HOH425
|
4.8
|
46.7
|
1.0
|
F2
|
A:F5T201
|
4.9
|
45.1
|
0.8
|
H
|
A:PHE120
|
4.9
|
10.9
|
1.0
|
O
|
A:HOH305
|
4.9
|
39.0
|
1.0
|
O
|
A:HOH403
|
5.0
|
45.3
|
1.0
|
|
Rhodium binding site 2 out
of 10 in 7qpy
Go back to
Rhodium Binding Sites List in 7qpy
Rhodium binding site 2 out
of 10 in the X-Ray Structure of the Adduct Obtained Upon Reaction of [Cis- RH2(OCOCH3)2(OCOCF3)2] with Rnase A (3)
Mono view
Stereo pair view
|
A full contact list of Rhodium with other atoms in the Rh binding
site number 2 of X-Ray Structure of the Adduct Obtained Upon Reaction of [Cis- RH2(OCOCH3)2(OCOCF3)2] with Rnase A (3) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Rh201
b:22.5
occ:0.80
|
RH2
|
A:F5T201
|
0.0
|
22.5
|
0.8
|
O4
|
A:F5T201
|
2.1
|
25.5
|
0.8
|
O2
|
A:F5T201
|
2.1
|
21.0
|
0.8
|
O9
|
A:F5T201
|
2.1
|
24.5
|
0.8
|
O8
|
A:F5T201
|
2.1
|
23.0
|
0.8
|
RH1
|
A:F5T201
|
2.4
|
17.7
|
0.8
|
C5
|
A:F5T201
|
2.8
|
30.3
|
0.8
|
C3
|
A:F5T201
|
2.9
|
21.4
|
0.8
|
C1
|
A:F5T201
|
2.9
|
20.8
|
0.8
|
O7
|
A:F5T201
|
3.1
|
22.4
|
0.8
|
O1
|
A:F5T201
|
3.1
|
19.1
|
0.8
|
O0
|
A:F5T201
|
3.1
|
22.2
|
0.8
|
O3
|
A:F5T201
|
3.3
|
22.9
|
0.8
|
HD1
|
A:HIS119
|
3.7
|
15.4
|
0.0
|
HZ3
|
A:LYS7
|
3.7
|
35.8
|
1.0
|
O
|
A:HOH349
|
4.1
|
35.0
|
1.0
|
C6
|
A:F5T201
|
4.3
|
39.0
|
0.8
|
C2
|
A:F5T201
|
4.4
|
19.5
|
0.8
|
C4
|
A:F5T201
|
4.4
|
21.4
|
0.8
|
NZ
|
A:LYS7
|
4.5
|
37.2
|
1.0
|
HE2
|
A:LYS7
|
4.5
|
33.2
|
1.0
|
HZ2
|
A:LYS7
|
4.5
|
35.8
|
1.0
|
ND1
|
A:HIS119
|
4.6
|
15.5
|
1.0
|
O
|
A:HOH421
|
4.6
|
36.8
|
1.0
|
F3
|
A:F5T201
|
4.7
|
37.5
|
0.8
|
O
|
A:HOH316
|
4.8
|
35.3
|
1.0
|
HD3
|
A:LYS7
|
4.8
|
29.2
|
1.0
|
HB2
|
A:HIS119
|
4.8
|
12.3
|
1.0
|
F2
|
A:F5T201
|
4.9
|
45.1
|
0.8
|
CE
|
A:LYS7
|
5.0
|
33.0
|
1.0
|
|
Rhodium binding site 3 out
of 10 in 7qpy
Go back to
Rhodium Binding Sites List in 7qpy
Rhodium binding site 3 out
of 10 in the X-Ray Structure of the Adduct Obtained Upon Reaction of [Cis- RH2(OCOCH3)2(OCOCF3)2] with Rnase A (3)
Mono view
Stereo pair view
|
A full contact list of Rhodium with other atoms in the Rh binding
site number 3 of X-Ray Structure of the Adduct Obtained Upon Reaction of [Cis- RH2(OCOCH3)2(OCOCF3)2] with Rnase A (3) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Rh202
b:21.5
occ:0.70
|
RH3
|
A:F3I202
|
0.0
|
21.5
|
0.7
|
HE2
|
A:HIS105
|
1.2
|
17.4
|
0.0
|
O9
|
A:F3I202
|
2.0
|
18.1
|
0.7
|
O10
|
A:F3I202
|
2.1
|
33.8
|
0.7
|
NE2
|
A:HIS105
|
2.1
|
17.4
|
1.0
|
O12
|
A:F3I202
|
2.1
|
26.4
|
0.7
|
O14
|
A:F3I202
|
2.1
|
30.1
|
0.7
|
RH4
|
A:F3I202
|
2.4
|
38.8
|
0.7
|
H10
|
A:F3I202
|
2.7
|
18.1
|
0.0
|
CE1
|
A:HIS105
|
3.0
|
18.4
|
1.0
|
C1
|
A:F3I202
|
3.0
|
29.6
|
0.7
|
O16
|
A:F3I202
|
3.1
|
40.3
|
0.7
|
O13
|
A:F3I202
|
3.1
|
34.3
|
0.7
|
CD2
|
A:HIS105
|
3.1
|
17.9
|
1.0
|
HE1
|
A:HIS105
|
3.2
|
17.7
|
1.0
|
O11
|
A:F3I202
|
3.3
|
31.6
|
0.7
|
O15
|
A:F3I202
|
3.3
|
38.0
|
0.7
|
HD2
|
A:HIS105
|
3.3
|
17.0
|
1.0
|
H2
|
A:F3I202
|
3.6
|
34.2
|
0.0
|
O
|
A:HOH302
|
3.9
|
19.4
|
0.3
|
HG21
|
A:THR78
|
4.0
|
23.5
|
1.0
|
O
|
A:HOH301
|
4.1
|
23.2
|
0.3
|
ND1
|
A:HIS105
|
4.2
|
16.9
|
1.0
|
CG
|
A:HIS105
|
4.2
|
14.9
|
1.0
|
O
|
A:HOH334
|
4.3
|
31.0
|
1.0
|
O
|
A:HOH308
|
4.4
|
39.1
|
1.0
|
C2
|
A:F3I202
|
4.4
|
28.1
|
0.7
|
HG23
|
A:THR78
|
4.5
|
23.5
|
1.0
|
CG2
|
A:THR78
|
4.6
|
23.3
|
1.0
|
HG22
|
A:THR78
|
4.6
|
23.5
|
1.0
|
HD1
|
A:HIS105
|
5.0
|
16.9
|
0.0
|
|
Rhodium binding site 4 out
of 10 in 7qpy
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Rhodium Binding Sites List in 7qpy
Rhodium binding site 4 out
of 10 in the X-Ray Structure of the Adduct Obtained Upon Reaction of [Cis- RH2(OCOCH3)2(OCOCF3)2] with Rnase A (3)
Mono view
Stereo pair view
|
A full contact list of Rhodium with other atoms in the Rh binding
site number 4 of X-Ray Structure of the Adduct Obtained Upon Reaction of [Cis- RH2(OCOCH3)2(OCOCF3)2] with Rnase A (3) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Rh202
b:38.8
occ:0.70
|
RH4
|
A:F3I202
|
0.0
|
38.8
|
0.7
|
O13
|
A:F3I202
|
2.1
|
34.3
|
0.7
|
O16
|
A:F3I202
|
2.1
|
40.3
|
0.7
|
O15
|
A:F3I202
|
2.1
|
38.0
|
0.7
|
O11
|
A:F3I202
|
2.2
|
31.6
|
0.7
|
RH3
|
A:F3I202
|
2.4
|
21.5
|
0.7
|
H2
|
A:F3I202
|
2.7
|
34.2
|
0.0
|
C1
|
A:F3I202
|
2.9
|
29.6
|
0.7
|
O12
|
A:F3I202
|
2.9
|
26.4
|
0.7
|
O10
|
A:F3I202
|
3.0
|
33.8
|
0.7
|
H10
|
A:F3I202
|
3.0
|
18.1
|
0.0
|
O9
|
A:F3I202
|
3.2
|
18.1
|
0.7
|
O14
|
A:F3I202
|
3.4
|
30.1
|
0.7
|
HE2
|
A:HIS105
|
3.6
|
17.4
|
0.0
|
O
|
A:HOH301
|
3.9
|
23.2
|
0.3
|
C2
|
A:F3I202
|
4.3
|
28.1
|
0.7
|
NE2
|
A:HIS105
|
4.5
|
17.4
|
1.0
|
O
|
A:HOH308
|
4.7
|
39.1
|
1.0
|
O
|
A:HOH424
|
5.0
|
39.6
|
1.0
|
|
Rhodium binding site 5 out
of 10 in 7qpy
Go back to
Rhodium Binding Sites List in 7qpy
Rhodium binding site 5 out
of 10 in the X-Ray Structure of the Adduct Obtained Upon Reaction of [Cis- RH2(OCOCH3)2(OCOCF3)2] with Rnase A (3)
Mono view
Stereo pair view
|
A full contact list of Rhodium with other atoms in the Rh binding
site number 5 of X-Ray Structure of the Adduct Obtained Upon Reaction of [Cis- RH2(OCOCH3)2(OCOCF3)2] with Rnase A (3) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Rh201
b:16.5
occ:0.30
|
RH1
|
B:F5I201
|
0.0
|
16.5
|
0.3
|
RH1
|
B:F5I201
|
0.6
|
17.7
|
0.3
|
HD1
|
B:HIS119
|
1.3
|
21.6
|
0.0
|
O1
|
B:F5I201
|
1.7
|
18.4
|
0.3
|
O7
|
B:F5I201
|
1.8
|
19.4
|
0.3
|
O7
|
B:F5I201
|
2.1
|
17.0
|
0.3
|
O3
|
B:F5I201
|
2.1
|
18.8
|
0.3
|
O1
|
B:F5I201
|
2.1
|
16.6
|
0.3
|
O6
|
B:F5I201
|
2.1
|
21.5
|
0.3
|
ND1
|
B:HIS119
|
2.2
|
21.6
|
1.0
|
RH2
|
B:F5I201
|
2.4
|
21.2
|
0.3
|
RH2
|
B:F5I201
|
2.5
|
19.6
|
0.3
|
O6
|
B:F5I201
|
2.5
|
18.5
|
0.3
|
O3
|
B:F5I201
|
2.6
|
19.1
|
0.3
|
C3
|
B:F5I201
|
2.7
|
19.2
|
0.3
|
C1
|
B:F5I201
|
2.8
|
18.6
|
0.3
|
C3
|
B:F5I201
|
2.8
|
15.8
|
0.3
|
O8
|
B:F5I201
|
2.9
|
17.8
|
0.3
|
CE1
|
B:HIS119
|
3.0
|
21.3
|
1.0
|
O8
|
B:F5I201
|
3.0
|
20.0
|
0.3
|
C1
|
B:F5I201
|
3.0
|
16.4
|
0.3
|
HB2
|
B:HIS119
|
3.1
|
15.2
|
1.0
|
HE1
|
B:HIS119
|
3.1
|
21.5
|
1.0
|
O4
|
B:F5I201
|
3.1
|
18.7
|
0.3
|
O2
|
B:F5I201
|
3.2
|
19.0
|
0.3
|
CG
|
B:HIS119
|
3.2
|
18.3
|
1.0
|
O4
|
B:F5I201
|
3.3
|
22.5
|
0.3
|
O5
|
B:F5I201
|
3.3
|
19.3
|
0.3
|
O5
|
B:F5I201
|
3.3
|
21.3
|
0.3
|
O2
|
B:F5I201
|
3.3
|
18.2
|
0.3
|
CB
|
B:HIS119
|
3.6
|
15.1
|
1.0
|
O
|
B:HOH397
|
3.7
|
35.9
|
1.0
|
HA
|
B:HIS119
|
3.8
|
12.8
|
1.0
|
O
|
B:HOH306
|
4.1
|
19.5
|
1.0
|
C2
|
B:F5I201
|
4.2
|
17.6
|
0.3
|
C4
|
B:F5I201
|
4.2
|
20.4
|
0.3
|
NE2
|
B:HIS119
|
4.2
|
22.4
|
1.0
|
CA
|
B:HIS119
|
4.3
|
12.8
|
1.0
|
CD2
|
B:HIS119
|
4.3
|
20.1
|
1.0
|
C4
|
B:F5I201
|
4.3
|
14.9
|
0.3
|
HB3
|
B:HIS119
|
4.4
|
15.2
|
1.0
|
O
|
B:VAL118
|
4.5
|
14.5
|
1.0
|
C2
|
B:F5I201
|
4.5
|
16.5
|
0.3
|
O
|
B:HOH425
|
4.7
|
55.8
|
1.0
|
O
|
B:HOH338
|
4.7
|
24.2
|
0.6
|
H
|
B:PHE120
|
4.9
|
12.1
|
1.0
|
HE2
|
B:HIS119
|
4.9
|
22.3
|
0.0
|
O
|
B:HOH314
|
5.0
|
19.1
|
0.5
|
|
Rhodium binding site 6 out
of 10 in 7qpy
Go back to
Rhodium Binding Sites List in 7qpy
Rhodium binding site 6 out
of 10 in the X-Ray Structure of the Adduct Obtained Upon Reaction of [Cis- RH2(OCOCH3)2(OCOCF3)2] with Rnase A (3)
Mono view
Stereo pair view
|
A full contact list of Rhodium with other atoms in the Rh binding
site number 6 of X-Ray Structure of the Adduct Obtained Upon Reaction of [Cis- RH2(OCOCH3)2(OCOCF3)2] with Rnase A (3) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Rh201
b:17.7
occ:0.30
|
RH1
|
B:F5I201
|
0.0
|
17.7
|
0.3
|
RH1
|
B:F5I201
|
0.6
|
16.5
|
0.3
|
HD1
|
B:HIS119
|
1.4
|
21.6
|
0.0
|
O6
|
B:F5I201
|
1.7
|
21.5
|
0.3
|
O1
|
B:F5I201
|
1.8
|
16.6
|
0.3
|
O6
|
B:F5I201
|
2.1
|
18.5
|
0.3
|
O7
|
B:F5I201
|
2.1
|
19.4
|
0.3
|
O1
|
B:F5I201
|
2.1
|
18.4
|
0.3
|
O3
|
B:F5I201
|
2.1
|
19.1
|
0.3
|
ND1
|
B:HIS119
|
2.3
|
21.6
|
1.0
|
RH2
|
B:F5I201
|
2.3
|
19.6
|
0.3
|
RH2
|
B:F5I201
|
2.4
|
21.2
|
0.3
|
O3
|
B:F5I201
|
2.5
|
18.8
|
0.3
|
O7
|
B:F5I201
|
2.5
|
17.0
|
0.3
|
C1
|
B:F5I201
|
2.7
|
16.4
|
0.3
|
O5
|
B:F5I201
|
2.9
|
19.3
|
0.3
|
O2
|
B:F5I201
|
2.9
|
18.2
|
0.3
|
O4
|
B:F5I201
|
3.0
|
22.5
|
0.3
|
O5
|
B:F5I201
|
3.0
|
21.3
|
0.3
|
CE1
|
B:HIS119
|
3.1
|
21.3
|
1.0
|
C3
|
B:F5I201
|
3.1
|
19.2
|
0.3
|
HE1
|
B:HIS119
|
3.1
|
21.5
|
1.0
|
O8
|
B:F5I201
|
3.1
|
17.8
|
0.3
|
C1
|
B:F5I201
|
3.1
|
18.6
|
0.3
|
C3
|
B:F5I201
|
3.2
|
15.8
|
0.3
|
O4
|
B:F5I201
|
3.2
|
18.7
|
0.3
|
O8
|
B:F5I201
|
3.3
|
20.0
|
0.3
|
HB2
|
B:HIS119
|
3.4
|
15.2
|
1.0
|
CG
|
B:HIS119
|
3.4
|
18.3
|
1.0
|
O2
|
B:F5I201
|
3.5
|
19.0
|
0.3
|
O
|
B:HOH306
|
3.6
|
19.5
|
1.0
|
HA
|
B:HIS119
|
3.7
|
12.8
|
1.0
|
CB
|
B:HIS119
|
3.8
|
15.1
|
1.0
|
C2
|
B:F5I201
|
4.1
|
16.5
|
0.3
|
O
|
B:HOH397
|
4.2
|
35.9
|
1.0
|
NE2
|
B:HIS119
|
4.3
|
22.4
|
1.0
|
CA
|
B:HIS119
|
4.3
|
12.8
|
1.0
|
CD2
|
B:HIS119
|
4.4
|
20.1
|
1.0
|
C4
|
B:F5I201
|
4.5
|
20.4
|
0.3
|
O
|
B:VAL118
|
4.5
|
14.5
|
1.0
|
C2
|
B:F5I201
|
4.6
|
17.6
|
0.3
|
O
|
B:HOH314
|
4.6
|
19.1
|
0.5
|
H
|
B:PHE120
|
4.6
|
12.1
|
1.0
|
O
|
B:HOH350
|
4.6
|
37.8
|
1.0
|
C4
|
B:F5I201
|
4.6
|
14.9
|
0.3
|
O
|
B:HOH338
|
4.7
|
24.2
|
0.6
|
HB3
|
B:HIS119
|
4.7
|
15.2
|
1.0
|
O
|
B:HOH323
|
4.7
|
24.8
|
1.0
|
O
|
B:HOH425
|
5.0
|
55.8
|
1.0
|
|
Rhodium binding site 7 out
of 10 in 7qpy
Go back to
Rhodium Binding Sites List in 7qpy
Rhodium binding site 7 out
of 10 in the X-Ray Structure of the Adduct Obtained Upon Reaction of [Cis- RH2(OCOCH3)2(OCOCF3)2] with Rnase A (3)
Mono view
Stereo pair view
|
A full contact list of Rhodium with other atoms in the Rh binding
site number 7 of X-Ray Structure of the Adduct Obtained Upon Reaction of [Cis- RH2(OCOCH3)2(OCOCF3)2] with Rnase A (3) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Rh201
b:19.6
occ:0.30
|
RH2
|
B:F5I201
|
0.0
|
19.6
|
0.3
|
RH2
|
B:F5I201
|
0.8
|
21.2
|
0.3
|
O4
|
B:F5I201
|
1.6
|
22.5
|
0.3
|
O5
|
B:F5I201
|
1.7
|
21.3
|
0.3
|
O4
|
B:F5I201
|
2.1
|
18.7
|
0.3
|
O2
|
B:F5I201
|
2.1
|
18.2
|
0.3
|
O5
|
B:F5I201
|
2.1
|
19.3
|
0.3
|
O8
|
B:F5I201
|
2.1
|
17.8
|
0.3
|
RH1
|
B:F5I201
|
2.3
|
17.7
|
0.3
|
O
|
B:HOH338
|
2.4
|
24.2
|
0.6
|
RH1
|
B:F5I201
|
2.5
|
16.5
|
0.3
|
O8
|
B:F5I201
|
2.7
|
20.0
|
0.3
|
O2
|
B:F5I201
|
2.7
|
19.0
|
0.3
|
C1
|
B:F5I201
|
2.8
|
16.4
|
0.3
|
O1
|
B:F5I201
|
2.9
|
16.6
|
0.3
|
O3
|
B:F5I201
|
2.9
|
19.1
|
0.3
|
O6
|
B:F5I201
|
3.0
|
18.5
|
0.3
|
O1
|
B:F5I201
|
3.0
|
18.4
|
0.3
|
O6
|
B:F5I201
|
3.0
|
21.5
|
0.3
|
C3
|
B:F5I201
|
3.0
|
15.8
|
0.3
|
O7
|
B:F5I201
|
3.1
|
19.4
|
0.3
|
C1
|
B:F5I201
|
3.3
|
18.6
|
0.3
|
C3
|
B:F5I201
|
3.3
|
19.2
|
0.3
|
O7
|
B:F5I201
|
3.3
|
17.0
|
0.3
|
O3
|
B:F5I201
|
3.4
|
18.8
|
0.3
|
HZ3
|
B:LYS7
|
3.5
|
29.4
|
1.0
|
HE2
|
B:LYS7
|
3.5
|
26.0
|
1.0
|
HD1
|
B:HIS119
|
3.7
|
21.6
|
0.0
|
HZ2
|
B:LYS7
|
4.0
|
29.5
|
1.0
|
NZ
|
B:LYS7
|
4.0
|
31.0
|
1.0
|
O
|
B:HOH406
|
4.0
|
42.2
|
1.0
|
CE
|
B:LYS7
|
4.2
|
26.4
|
1.0
|
HD3
|
B:LYS7
|
4.3
|
21.4
|
1.0
|
C2
|
B:F5I201
|
4.3
|
16.5
|
0.3
|
C4
|
B:F5I201
|
4.5
|
14.9
|
0.3
|
ND1
|
B:HIS119
|
4.6
|
21.6
|
1.0
|
O
|
B:HOH323
|
4.7
|
24.8
|
1.0
|
O
|
B:HOH314
|
4.7
|
19.1
|
0.5
|
O
|
B:HOH318
|
4.7
|
24.9
|
1.0
|
C2
|
B:F5I201
|
4.8
|
17.6
|
0.3
|
CD
|
B:LYS7
|
4.8
|
21.5
|
1.0
|
C4
|
B:F5I201
|
4.8
|
20.4
|
0.3
|
O
|
B:HOH431
|
4.8
|
50.4
|
1.0
|
HZ1
|
B:LYS7
|
4.9
|
29.5
|
1.0
|
HE21
|
B:GLN11
|
4.9
|
23.4
|
1.0
|
HE3
|
B:LYS7
|
5.0
|
26.1
|
1.0
|
|
Rhodium binding site 8 out
of 10 in 7qpy
Go back to
Rhodium Binding Sites List in 7qpy
Rhodium binding site 8 out
of 10 in the X-Ray Structure of the Adduct Obtained Upon Reaction of [Cis- RH2(OCOCH3)2(OCOCF3)2] with Rnase A (3)
Mono view
Stereo pair view
|
A full contact list of Rhodium with other atoms in the Rh binding
site number 8 of X-Ray Structure of the Adduct Obtained Upon Reaction of [Cis- RH2(OCOCH3)2(OCOCF3)2] with Rnase A (3) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Rh201
b:21.2
occ:0.30
|
RH2
|
B:F5I201
|
0.0
|
21.2
|
0.3
|
RH2
|
B:F5I201
|
0.8
|
19.6
|
0.3
|
O8
|
B:F5I201
|
1.6
|
17.8
|
0.3
|
O4
|
B:F5I201
|
1.7
|
18.7
|
0.3
|
O2
|
B:F5I201
|
2.1
|
19.0
|
0.3
|
O8
|
B:F5I201
|
2.1
|
20.0
|
0.3
|
O4
|
B:F5I201
|
2.1
|
22.5
|
0.3
|
O5
|
B:F5I201
|
2.1
|
21.3
|
0.3
|
RH1
|
B:F5I201
|
2.4
|
16.5
|
0.3
|
RH1
|
B:F5I201
|
2.4
|
17.7
|
0.3
|
O
|
B:HOH338
|
2.4
|
24.2
|
0.6
|
C3
|
B:F5I201
|
2.5
|
15.8
|
0.3
|
O2
|
B:F5I201
|
2.6
|
18.2
|
0.3
|
O1
|
B:F5I201
|
2.7
|
18.4
|
0.3
|
C1
|
B:F5I201
|
2.7
|
18.6
|
0.3
|
O5
|
B:F5I201
|
2.7
|
19.3
|
0.3
|
O7
|
B:F5I201
|
2.8
|
17.0
|
0.3
|
O7
|
B:F5I201
|
2.8
|
19.4
|
0.3
|
C3
|
B:F5I201
|
2.8
|
19.2
|
0.3
|
O3
|
B:F5I201
|
3.0
|
18.8
|
0.3
|
O1
|
B:F5I201
|
3.2
|
16.6
|
0.3
|
C1
|
B:F5I201
|
3.3
|
16.4
|
0.3
|
O6
|
B:F5I201
|
3.4
|
21.5
|
0.3
|
O6
|
B:F5I201
|
3.4
|
18.5
|
0.3
|
O3
|
B:F5I201
|
3.4
|
19.1
|
0.3
|
HD1
|
B:HIS119
|
3.7
|
21.6
|
0.0
|
HZ3
|
B:LYS7
|
3.8
|
29.4
|
1.0
|
O
|
B:HOH406
|
3.9
|
42.2
|
1.0
|
C4
|
B:F5I201
|
3.9
|
14.9
|
0.3
|
HE2
|
B:LYS7
|
4.2
|
26.0
|
1.0
|
C2
|
B:F5I201
|
4.2
|
17.6
|
0.3
|
C4
|
B:F5I201
|
4.3
|
20.4
|
0.3
|
NZ
|
B:LYS7
|
4.5
|
31.0
|
1.0
|
HZ2
|
B:LYS7
|
4.5
|
29.5
|
1.0
|
ND1
|
B:HIS119
|
4.5
|
21.6
|
1.0
|
HD3
|
B:LYS7
|
4.6
|
21.4
|
1.0
|
C2
|
B:F5I201
|
4.7
|
16.5
|
0.3
|
O
|
B:HOH318
|
4.7
|
24.9
|
1.0
|
CE
|
B:LYS7
|
4.8
|
26.4
|
1.0
|
HB2
|
B:HIS119
|
4.8
|
15.2
|
1.0
|
|
Rhodium binding site 9 out
of 10 in 7qpy
Go back to
Rhodium Binding Sites List in 7qpy
Rhodium binding site 9 out
of 10 in the X-Ray Structure of the Adduct Obtained Upon Reaction of [Cis- RH2(OCOCH3)2(OCOCF3)2] with Rnase A (3)
Mono view
Stereo pair view
|
A full contact list of Rhodium with other atoms in the Rh binding
site number 9 of X-Ray Structure of the Adduct Obtained Upon Reaction of [Cis- RH2(OCOCH3)2(OCOCF3)2] with Rnase A (3) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Rh202
b:55.2
occ:0.40
|
RH1
|
B:F5I202
|
0.0
|
55.2
|
0.4
|
O1
|
B:F5I202
|
2.1
|
49.0
|
0.4
|
O6
|
B:F5I202
|
2.1
|
48.5
|
0.4
|
O7
|
B:F5I202
|
2.1
|
49.8
|
0.4
|
O3
|
B:F5I202
|
2.1
|
50.4
|
0.4
|
RH2
|
B:F5I202
|
2.5
|
43.7
|
0.4
|
H10
|
B:F5I202
|
2.7
|
48.5
|
0.0
|
H7
|
B:F5I202
|
3.0
|
37.7
|
0.0
|
O4
|
B:F5I202
|
3.2
|
37.6
|
0.4
|
O8
|
B:F5I202
|
3.2
|
43.4
|
0.4
|
H9
|
B:F5I202
|
3.2
|
45.5
|
0.0
|
O5
|
B:F5I202
|
3.4
|
45.4
|
0.4
|
O2
|
B:F5I202
|
3.4
|
45.5
|
0.4
|
O
|
B:HOH382
|
3.4
|
46.5
|
1.0
|
HE2
|
B:HIS105
|
3.9
|
19.2
|
0.0
|
NE2
|
B:HIS105
|
4.7
|
19.3
|
1.0
|
O
|
B:HOH439
|
5.0
|
29.2
|
0.6
|
|
Rhodium binding site 10 out
of 10 in 7qpy
Go back to
Rhodium Binding Sites List in 7qpy
Rhodium binding site 10 out
of 10 in the X-Ray Structure of the Adduct Obtained Upon Reaction of [Cis- RH2(OCOCH3)2(OCOCF3)2] with Rnase A (3)
Mono view
Stereo pair view
|
A full contact list of Rhodium with other atoms in the Rh binding
site number 10 of X-Ray Structure of the Adduct Obtained Upon Reaction of [Cis- RH2(OCOCH3)2(OCOCF3)2] with Rnase A (3) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Rh202
b:43.7
occ:0.40
|
RH2
|
B:F5I202
|
0.0
|
43.7
|
0.4
|
HE2
|
B:HIS105
|
1.4
|
19.2
|
0.0
|
O4
|
B:F5I202
|
2.1
|
37.6
|
0.4
|
O2
|
B:F5I202
|
2.1
|
45.5
|
0.4
|
O5
|
B:F5I202
|
2.1
|
45.4
|
0.4
|
O8
|
B:F5I202
|
2.1
|
43.4
|
0.4
|
NE2
|
B:HIS105
|
2.2
|
19.3
|
1.0
|
RH1
|
B:F5I202
|
2.5
|
55.2
|
0.4
|
H7
|
B:F5I202
|
2.6
|
37.7
|
0.0
|
H9
|
B:F5I202
|
2.7
|
45.5
|
0.0
|
H10
|
B:F5I202
|
2.9
|
48.5
|
0.0
|
O1
|
B:F5I202
|
3.1
|
49.0
|
0.4
|
O6
|
B:F5I202
|
3.1
|
48.5
|
0.4
|
CD2
|
B:HIS105
|
3.1
|
17.2
|
1.0
|
CE1
|
B:HIS105
|
3.2
|
18.3
|
1.0
|
HD2
|
B:HIS105
|
3.3
|
17.4
|
1.0
|
O7
|
B:F5I202
|
3.4
|
49.8
|
0.4
|
O3
|
B:F5I202
|
3.4
|
50.4
|
0.4
|
HE1
|
B:HIS105
|
3.4
|
18.1
|
1.0
|
O
|
B:HOH439
|
3.5
|
29.2
|
0.6
|
O
|
B:HOH353
|
4.0
|
45.4
|
1.0
|
CG
|
B:HIS105
|
4.3
|
15.8
|
1.0
|
ND1
|
B:HIS105
|
4.3
|
16.8
|
1.0
|
HG23
|
B:THR78
|
4.3
|
17.7
|
1.0
|
HG21
|
B:THR78
|
4.3
|
17.7
|
1.0
|
CG2
|
B:THR78
|
4.7
|
17.9
|
1.0
|
HG22
|
B:THR78
|
4.8
|
17.7
|
1.0
|
O
|
B:HOH420
|
4.9
|
31.8
|
1.0
|
|
Reference:
D.Loreto,
A.Esposito,
N.Demitri,
A.Guaragna,
A.Merlino.
Reactivity of A Fluorine-Containing Dirhodium Tetracarboxylate Compound with Proteins. Dalton Trans V. 51 3695 2022.
ISSN: ESSN 1477-9234
PubMed: 35166290
DOI: 10.1039/D2DT00082B
Page generated: Thu Oct 10 12:37:35 2024
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