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Rhenium in PDB 4k9j: Structure of Re(Co)3(4,7-Dimethyl-Phen)(THR126HIS)(LYS122TRP) (HIS83GLU)(TRP48PHE)(TYR72PHE)(TYR108PHE)Azcu(II), A Rhenium Modified Azurin Mutant

Protein crystallography data

The structure of Structure of Re(Co)3(4,7-Dimethyl-Phen)(THR126HIS)(LYS122TRP) (HIS83GLU)(TRP48PHE)(TYR72PHE)(TYR108PHE)Azcu(II), A Rhenium Modified Azurin Mutant, PDB code: 4k9j was solved by K.Takematsu, H.R.Williamson, A.M.Blanco-Rodriguez, L.Sokolova, P.Nikolovski, J.T.Kaiser, M.Towrie, I.P.Clark, A.Vlcek Jr, J.R.Winkler, H.B.Gray, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 27.35 / 1.70
Space group F 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 42.391, 93.215, 109.383, 90.00, 90.00, 90.00
R / Rfree (%) 19.6 / 23.6

Other elements in 4k9j:

The structure of Structure of Re(Co)3(4,7-Dimethyl-Phen)(THR126HIS)(LYS122TRP) (HIS83GLU)(TRP48PHE)(TYR72PHE)(TYR108PHE)Azcu(II), A Rhenium Modified Azurin Mutant also contains other interesting chemical elements:

Copper (Cu) 1 atom

Rhenium Binding Sites:

The binding sites of Rhenium atom in the Structure of Re(Co)3(4,7-Dimethyl-Phen)(THR126HIS)(LYS122TRP) (HIS83GLU)(TRP48PHE)(TYR72PHE)(TYR108PHE)Azcu(II), A Rhenium Modified Azurin Mutant (pdb code 4k9j). This binding sites where shown within 5.0 Angstroms radius around Rhenium atom.
In total only one binding site of Rhenium was determined in the Structure of Re(Co)3(4,7-Dimethyl-Phen)(THR126HIS)(LYS122TRP) (HIS83GLU)(TRP48PHE)(TYR72PHE)(TYR108PHE)Azcu(II), A Rhenium Modified Azurin Mutant, PDB code: 4k9j:

Rhenium binding site 1 out of 1 in 4k9j

Go back to Rhenium Binding Sites List in 4k9j
Rhenium binding site 1 out of 1 in the Structure of Re(Co)3(4,7-Dimethyl-Phen)(THR126HIS)(LYS122TRP) (HIS83GLU)(TRP48PHE)(TYR72PHE)(TYR108PHE)Azcu(II), A Rhenium Modified Azurin Mutant


Mono view


Stereo pair view

A full contact list of Rhenium with other atoms in the Re binding site number 1 of Structure of Re(Co)3(4,7-Dimethyl-Phen)(THR126HIS)(LYS122TRP) (HIS83GLU)(TRP48PHE)(TYR72PHE)(TYR108PHE)Azcu(II), A Rhenium Modified Azurin Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Re202

b:25.5
occ:1.00
RE A:REQ202 0.0 25.5 1.0
C3 A:REQ202 1.9 59.7 1.0
C2 A:REQ202 1.9 34.1 1.0
C1 A:REQ202 1.9 57.0 1.0
NE2 A:HIS126 2.2 32.5 1.0
N1 A:REQ202 2.2 29.4 1.0
N2 A:REQ202 2.2 27.1 1.0
CE1 A:HIS126 2.9 32.5 1.0
HE1 A:HIS126 2.9 39.0 1.0
C11 A:REQ202 2.9 22.6 1.0
C12 A:REQ202 3.0 26.7 1.0
O1 A:REQ202 3.0 38.5 1.0
O2 A:REQ202 3.0 54.3 1.0
O3 A:REQ202 3.0 39.5 1.0
C7 A:REQ202 3.1 36.9 1.0
C16 A:REQ202 3.1 38.4 1.0
CD2 A:HIS126 3.3 29.8 1.0
HD2 A:HIS126 3.6 35.8 1.0
ND1 A:HIS126 4.1 29.9 1.0
C10 A:REQ202 4.3 33.4 1.0
CG A:GLU106 4.3 55.6 1.0
CG A:HIS126 4.3 28.1 1.0
C13 A:REQ202 4.3 30.3 1.0
CB A:GLU106 4.4 57.4 1.0
OE1 A:GLU106 4.4 59.3 1.0
C8 A:REQ202 4.4 34.6 1.0
C15 A:REQ202 4.4 31.0 1.0
CD A:GLU106 4.5 56.9 1.0
O A:HOH344 4.7 38.2 1.0
HD1 A:HIS126 4.9 35.8 1.0
C9 A:REQ202 4.9 35.5 1.0
C14 A:REQ202 5.0 34.9 1.0

Reference:

K.Takematsu, H.Williamson, A.M.Blanco-Rodriguez, L.Sokolova, P.Nikolovski, J.T.Kaiser, M.Towrie, I.P.Clark, A.Vlcek, J.R.Winkler, H.B.Gray. Tryptophan-Accelerated Electron Flow Across A Protein-Protein Interface. J.Am.Chem.Soc. V. 135 15515 2013.
ISSN: ISSN 0002-7863
PubMed: 24032375
DOI: 10.1021/JA406830D
Page generated: Wed Dec 16 02:07:25 2020

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