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Tungsten in PDB 3cij: Crystal Structure of A. Fulgidus Periplasmic Binding Protein Moda/Wtpa with Bound Tungstate

Protein crystallography data

The structure of Crystal Structure of A. Fulgidus Periplasmic Binding Protein Moda/Wtpa with Bound Tungstate, PDB code: 3cij was solved by M.Comellas-Bigler, K.Hollenstein, K.P.Locher, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 1.07
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 73.901, 75.396, 116.996, 90.00, 90.00, 90.00
R / Rfree (%) n/a / 14.9

Tungsten Binding Sites:

The binding sites of Tungsten atom in the Crystal Structure of A. Fulgidus Periplasmic Binding Protein Moda/Wtpa with Bound Tungstate (pdb code 3cij). This binding sites where shown within 5.0 Angstroms radius around Tungsten atom.
In total 2 binding sites of Tungsten where determined in the Crystal Structure of A. Fulgidus Periplasmic Binding Protein Moda/Wtpa with Bound Tungstate, PDB code: 3cij:
Jump to Tungsten binding site number: 1; 2;

Tungsten binding site 1 out of 2 in 3cij

Go back to Tungsten Binding Sites List in 3cij
Tungsten binding site 1 out of 2 in the Crystal Structure of A. Fulgidus Periplasmic Binding Protein Moda/Wtpa with Bound Tungstate


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 1 of Crystal Structure of A. Fulgidus Periplasmic Binding Protein Moda/Wtpa with Bound Tungstate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:W400

b:10.0
occ:1.00
W A:WO4400 0.0 10.0 1.0
O2 A:WO4400 1.7 8.8 1.0
O1 A:WO4400 1.7 8.2 1.0
O3 A:WO4400 1.7 8.6 1.0
O4 A:WO4400 2.0 10.2 1.0
OE2 A:GLU218 2.2 8.9 1.0
OD1 A:ASP153 2.2 8.9 1.0
CD A:GLU218 3.3 9.1 1.0
CG A:ASP153 3.3 8.6 1.0
OE1 A:GLU218 3.6 9.3 1.0
OD2 A:ASP153 3.8 9.3 1.0
N A:GLY41 4.0 8.9 1.0
CB A:ALA90 4.1 9.8 1.0
CB A:ALA40 4.1 10.1 1.0
CD A:PRO154 4.2 9.2 1.0
CE2 A:TYR236 4.2 9.0 1.0
OH A:TYR236 4.2 8.9 1.0
N A:SER42 4.2 9.1 1.0
N A:SER70 4.3 8.6 1.0
OG A:SER70 4.3 9.9 1.0
N A:CYS155 4.3 8.2 1.0
OG A:SER42 4.4 9.2 1.0
CA A:GLY69 4.4 9.3 1.0
CA A:ALA40 4.5 9.7 1.0
N A:PRO154 4.6 8.2 1.0
CB A:CYS155 4.6 8.9 1.0
CG A:GLU218 4.6 9.6 1.0
CB A:ASP153 4.6 9.0 1.0
C A:ALA40 4.6 9.2 1.0
CA A:GLY41 4.7 9.3 1.0
CZ A:TYR236 4.7 8.3 1.0
CB A:SER42 4.7 9.4 1.0
CA A:ASP153 4.8 8.4 1.0
C A:GLY69 4.9 8.6 1.0
CG A:PRO154 4.9 9.4 1.0
C A:ASP153 5.0 8.2 1.0
CB A:PRO154 5.0 9.0 1.0

Tungsten binding site 2 out of 2 in 3cij

Go back to Tungsten Binding Sites List in 3cij
Tungsten binding site 2 out of 2 in the Crystal Structure of A. Fulgidus Periplasmic Binding Protein Moda/Wtpa with Bound Tungstate


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 2 of Crystal Structure of A. Fulgidus Periplasmic Binding Protein Moda/Wtpa with Bound Tungstate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:W500

b:11.3
occ:1.00
W B:WO4500 0.0 11.3 1.0
O2 B:WO4500 1.7 10.1 1.0
O1 B:WO4500 1.7 9.2 1.0
O3 B:WO4500 1.7 11.1 1.0
O4 B:WO4500 1.9 11.2 1.0
OE2 B:GLU218 2.2 10.5 1.0
OD1 B:ASP153 2.2 10.2 1.0
CD B:GLU218 3.2 10.1 1.0
CG B:ASP153 3.3 10.1 1.0
OE1 B:GLU218 3.7 11.5 1.0
OD2 B:ASP153 3.7 10.8 1.0
N B:GLY41 4.0 10.4 1.0
CB B:ALA90 4.1 10.8 1.0
CD B:PRO154 4.2 9.7 1.0
CB B:ALA40 4.2 11.2 1.0
OH B:TYR236 4.2 9.7 1.0
CE2 B:TYR236 4.2 9.4 1.0
N B:SER42 4.2 10.5 1.0
OG B:SER70 4.3 10.6 1.0
N B:SER70 4.3 9.8 1.0
OG B:SER42 4.3 10.9 1.0
N B:CYS155 4.3 8.9 1.0
CA B:GLY69 4.5 10.5 1.0
CA B:ALA40 4.5 10.4 1.0
CB B:ASP153 4.6 10.1 1.0
CG B:GLU218 4.6 12.0 1.0
N B:PRO154 4.6 9.3 1.0
CB B:CYS155 4.6 9.8 1.0
C B:ALA40 4.6 11.0 1.0
CA B:GLY41 4.7 11.2 1.0
CZ B:TYR236 4.7 9.1 1.0
CB B:SER42 4.8 10.7 1.0
CA B:ASP153 4.8 9.5 1.0
CG B:PRO154 4.9 10.4 1.0
C B:GLY69 4.9 10.6 1.0
CB B:PRO154 4.9 10.0 1.0
C B:ASP153 5.0 8.7 1.0
C B:GLY41 5.0 10.7 1.0

Reference:

K.Hollenstein, M.Comellas-Bigler, L.E.Bevers, M.C.Feiters, W.Meyer-Klaucke, P.L.Hagedoorn, K.P.Locher. Distorted Octahedral Coordination of Tungstate in A Subfamily of Specific Binding Proteins. J.Biol.Inorg.Chem. V. 14 663 2009.
ISSN: ISSN 0949-8257
PubMed: 19234723
DOI: 10.1007/S00775-009-0479-7
Page generated: Wed Dec 16 02:34:42 2020

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