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Rhodium in PDB 7qq1: X-Ray Structure of the Adduct Obtained Upon Reaction of [Cis- RH2(OCOCH3)2(OCOCF3)2] with Hewl

Enzymatic activity of X-Ray Structure of the Adduct Obtained Upon Reaction of [Cis- RH2(OCOCH3)2(OCOCF3)2] with Hewl

All present enzymatic activity of X-Ray Structure of the Adduct Obtained Upon Reaction of [Cis- RH2(OCOCH3)2(OCOCF3)2] with Hewl:
3.2.1.17;

Protein crystallography data

The structure of X-Ray Structure of the Adduct Obtained Upon Reaction of [Cis- RH2(OCOCH3)2(OCOCF3)2] with Hewl, PDB code: 7qq1 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) 54.86 / 1.48
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 77.58, 77.58, 37.93, 90, 90, 90
R / Rfree (%) 18.6 / 22.4

Other elements in 7qq1:

The structure of X-Ray Structure of the Adduct Obtained Upon Reaction of [Cis- RH2(OCOCH3)2(OCOCF3)2] with Hewl also contains other interesting chemical elements:

Sodium (Na) 1 atom

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 Hewl (pdb code 7qq1). This binding sites where shown within 5.0 Angstroms radius around Rhodium atom.
In total 3 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 Hewl, PDB code: 7qq1:
Jump to Rhodium binding site number: 1; 2; 3;

Rhodium binding site 1 out of 3 in 7qq1

Go back to Rhodium Binding Sites List in 7qq1
Rhodium binding site 1 out of 3 in the X-Ray Structure of the Adduct Obtained Upon Reaction of [Cis- RH2(OCOCH3)2(OCOCF3)2] with Hewl


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 Hewl within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Rh202

b:54.4
occ:0.50
 HD1 A:HIS15 1.8 32.6 0.0
ND1 A:HIS15 2.5 32.6 1.0
RH1 A:RH203 2.5 73.5 0.5
O A:HOH456 2.9 50.5 1.0
HA A:HIS15 3.0 26.3 1.0
HE1 A:HIS15 3.1 28.9 1.0
CE1 A:HIS15 3.1 27.5 1.0
O A:HOH428 3.4 48.5 1.0
CG A:HIS15 3.6 26.0 1.0
O A:HOH448 3.7 45.5 1.0
CA A:HIS15 3.9 26.1 1.0
O A:HOH362 4.1 45.4 1.0
CB A:HIS15 4.1 27.4 1.0
HB3 A:HIS15 4.1 26.7 1.0
HG23 A:THR89 4.2 23.1 1.0
NE2 A:HIS15 4.3 28.9 1.0
O A:HOH407 4.4 42.6 1.0
CD2 A:HIS15 4.6 28.1 1.0
O A:ARG14 4.6 28.1 1.0
HH11 A:ARG14 4.7 31.9 1.0
O A:HIS15 4.7 29.4 1.0
O A:HOH412 4.8 38.3 1.0
C A:HIS15 4.8 26.7 1.0
N A:HIS15 4.8 25.0 1.0

Rhodium binding site 2 out of 3 in 7qq1

Go back to Rhodium Binding Sites List in 7qq1
Rhodium binding site 2 out of 3 in the X-Ray Structure of the Adduct Obtained Upon Reaction of [Cis- RH2(OCOCH3)2(OCOCF3)2] with Hewl


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 Hewl within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Rh203

b:73.5
occ:0.50
 O A:HOH456 2.4 50.5 1.0
RH1 A:RH202 2.5 54.4 0.5
O A:HOH448 3.4 45.5 1.0
O A:HOH428 3.7 48.5 1.0
HD1 A:HIS15 4.3 32.6 0.0
O A:HOH407 4.7 42.6 1.0
O A:HOH362 5.0 45.4 1.0

Rhodium binding site 3 out of 3 in 7qq1

Go back to Rhodium Binding Sites List in 7qq1
Rhodium binding site 3 out of 3 in the X-Ray Structure of the Adduct Obtained Upon Reaction of [Cis- RH2(OCOCH3)2(OCOCF3)2] with Hewl


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 Hewl within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Rh204

b:59.8
occ:0.30
 OD2 A:ASP101 2.3 34.4 1.0
O A:HOH427 2.6 61.2 1.0
CG A:ASP101 3.1 32.6 1.0
OD1 A:ASP101 3.2 37.8 1.0
O A:HOH434 3.4 26.5 0.3
CB A:ASP101 4.6 31.5 1.0
O A:ASP101 4.6 33.1 1.0
HB3 A:ASP101 4.7 30.7 1.0
HH2 A:TRP63 4.8 20.0 1.0
HZ2 A:TRP63 5.0 19.6 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 19:55:36 2023

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