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Tungsten in PDB 3f9a: W354F Yersinia Enterocolitica Ptpase Complexed with Tungstate

Enzymatic activity of W354F Yersinia Enterocolitica Ptpase Complexed with Tungstate

All present enzymatic activity of W354F Yersinia Enterocolitica Ptpase Complexed with Tungstate:
3.1.3.48;

Protein crystallography data

The structure of W354F Yersinia Enterocolitica Ptpase Complexed with Tungstate, PDB code: 3f9a was solved by T.A.S.Brandao, H.Robinson, S.J.Johnson, A.C.Hengge, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 26.41 / 1.69
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 54.431, 58.263, 90.622, 90.00, 90.00, 90.00
R / Rfree (%) 17.3 / 20.7

Tungsten Binding Sites:

The binding sites of Tungsten atom in the W354F Yersinia Enterocolitica Ptpase Complexed with Tungstate (pdb code 3f9a). This binding sites where shown within 5.0 Angstroms radius around Tungsten atom.
In total 2 binding sites of Tungsten where determined in the W354F Yersinia Enterocolitica Ptpase Complexed with Tungstate, PDB code: 3f9a:
Jump to Tungsten binding site number: 1; 2;

Tungsten binding site 1 out of 2 in 3f9a

Go back to Tungsten Binding Sites List in 3f9a
Tungsten binding site 1 out of 2 in the W354F Yersinia Enterocolitica Ptpase Complexed with Tungstate


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 1 of W354F Yersinia Enterocolitica Ptpase Complexed with Tungstate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:W501

b:13.2
occ:1.00
W A:WO4501 0.0 13.2 1.0
O1 A:WO4501 2.0 14.3 1.0
O2 A:WO4501 2.0 11.7 1.0
O4 A:WO4501 2.0 9.8 1.0
O3 A:WO4501 2.0 9.7 1.0
SG A:CYS403 3.2 9.5 1.0
N A:GLY408 3.9 8.9 1.0
O A:HOH147 3.9 15.0 1.0
O A:HOH639 3.9 27.2 1.0
O A:HOH33 4.0 20.9 1.0
N A:ALA405 4.0 8.8 1.0
NH2 A:ARG409 4.0 9.5 1.0
NE A:ARG409 4.1 11.1 1.0
CA A:GLY408 4.2 8.7 1.0
N A:ARG409 4.2 7.7 1.0
CB A:ALA405 4.2 9.7 1.0
CB A:CYS403 4.2 9.1 1.0
O A:HOH504 4.3 34.8 1.0
O A:HOH651 4.4 35.7 1.0
N A:GLY406 4.4 8.3 1.0
N A:ARG404 4.5 8.8 1.0
CA A:ALA405 4.6 9.0 1.0
CZ A:ARG409 4.6 11.7 1.0
N A:VAL407 4.6 9.5 1.0
C A:GLY408 4.7 7.9 1.0
CG2 A:VAL407 4.9 8.9 1.0
C A:ALA405 4.9 9.1 1.0
CB A:ARG404 5.0 9.6 1.0
C A:VAL407 5.0 9.7 1.0
O A:HOH158 5.0 31.1 1.0

Tungsten binding site 2 out of 2 in 3f9a

Go back to Tungsten Binding Sites List in 3f9a
Tungsten binding site 2 out of 2 in the W354F Yersinia Enterocolitica Ptpase Complexed with Tungstate


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 2 of W354F Yersinia Enterocolitica Ptpase Complexed with Tungstate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:W502

b:54.3
occ:1.00
W A:WO4502 0.0 54.3 1.0
O2 A:WO4502 2.0 55.4 1.0
O3 A:WO4502 2.0 54.9 1.0
O4 A:WO4502 2.1 55.2 1.0
O1 A:WO4502 2.1 54.1 1.0
O A:HOH641 3.2 2.1 1.0
O A:HOH645 3.7 35.8 1.0
OG A:SER388 4.2 23.6 1.0
NZ A:LYS342 4.2 31.4 1.0
CD A:LYS342 4.4 25.1 1.0
O A:HOH652 4.4 41.6 1.0
O A:HOH545 4.5 35.1 1.0
NH2 A:ARG278 4.5 16.6 1.0
CA A:SER388 4.5 22.9 1.0
N A:SER389 4.5 23.7 1.0
OG A:SER389 4.6 26.2 1.0
CB A:SER388 4.6 22.5 1.0
CE A:LYS342 4.9 28.7 1.0
NE A:ARG278 5.0 19.4 1.0

Reference:

T.A.Brandao, H.Robinson, S.J.Johnson, A.C.Hengge. Impaired Acid Catalysis By Mutation of A Protein Loop Hinge Residue in A Yoph Mutant Revealed By Crystal Structures. J.Am.Chem.Soc. V. 131 778 2009.
ISSN: ISSN 0002-7863
PubMed: 19140798
DOI: 10.1021/JA807418B
Page generated: Wed Dec 16 02:34:42 2020

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