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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:

Fluorine (F) 3 atoms

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

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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

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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

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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 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

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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

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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

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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

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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

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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: Fri Apr 7 19:55:37 2023

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