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Tungsten in PDB 1fr3: The High Resolution Structure of A Molybdate Binding Protein From Sporomusa Ovata

Protein crystallography data

The structure of The High Resolution Structure of A Molybdate Binding Protein From Sporomusa Ovata, PDB code: 1fr3 was solved by U.G.Wagner, E.Stupperich, C.Kratky, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.50
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 109.724, 138.328, 110.368, 90.00, 90.00, 90.00
R / Rfree (%) 18.5 / 19.8

Tungsten Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 16;

Binding sites:

The binding sites of Tungsten atom in the The High Resolution Structure of A Molybdate Binding Protein From Sporomusa Ovata (pdb code 1fr3). This binding sites where shown within 5.0 Angstroms radius around Tungsten atom.
In total 16 binding sites of Tungsten where determined in the The High Resolution Structure of A Molybdate Binding Protein From Sporomusa Ovata, PDB code: 1fr3:
Jump to Tungsten binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Tungsten binding site 1 out of 16 in 1fr3

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Tungsten binding site 1 out of 16 in the The High Resolution Structure of A Molybdate Binding Protein From Sporomusa Ovata


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 1 of The High Resolution Structure of A Molybdate Binding Protein From Sporomusa Ovata within 5.0Å range:
probe atom residue distance (Å) B Occ
A:W405

b:8.0
occ:1.00
 W A:WO4405 0.0 8.0 1.0
O3 A:WO4405 1.7 7.6 1.0
O2 A:WO4405 1.8 6.0 1.0
O4 A:WO4405 1.8 6.1 1.0
O1 A:WO4405 1.8 5.5 1.0
O A:SER4 3.3 6.1 1.0
CG A:LYS59 3.7 4.1 1.0
C A:SER4 3.8 6.2 1.0
N D:THR39 4.0 5.6 1.0
OG D:SER42 4.0 10.8 1.0
N A:ALA60 4.0 4.4 1.0
NZ A:LYS59 4.0 4.4 1.0
CB D:ILE38 4.1 6.9 1.0
CA A:GLY5 4.1 6.0 1.0
OG A:SER4 4.2 5.2 1.0
N A:GLY5 4.2 6.1 1.0
CB A:ALA60 4.2 4.8 1.0
CE A:LYS59 4.3 4.7 1.0
N A:ARG6 4.3 5.7 1.0
CG A:ARG6 4.3 6.2 1.0
CA D:ILE38 4.3 6.6 1.0
CG2 D:THR39 4.3 8.7 1.0
OG1 D:THR39 4.3 8.9 1.0
CB A:SER4 4.4 5.8 1.0
CG2 D:ILE38 4.4 7.3 1.0
CD A:LYS59 4.6 5.0 1.0
C A:GLY5 4.7 5.1 1.0
C D:ILE38 4.7 7.3 1.0
CA A:SER4 4.7 6.3 1.0
CA A:ALA60 4.7 5.0 1.0
CA A:LYS59 4.8 4.7 1.0
CB D:THR39 4.8 7.7 1.0
CB A:LYS59 4.8 4.7 1.0
C A:LYS59 4.9 4.6 1.0
CB D:SER42 4.9 9.1 1.0

Tungsten binding site 2 out of 16 in 1fr3

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Tungsten binding site 2 out of 16 in the The High Resolution Structure of A Molybdate Binding Protein From Sporomusa Ovata


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 2 of The High Resolution Structure of A Molybdate Binding Protein From Sporomusa Ovata within 5.0Å range:
probe atom residue distance (Å) B Occ
A:W414

b:9.0
occ:0.50
 W A:WO4414 0.0 9.0 0.5
O3 A:WO4414 1.7 9.5 0.5
O1 A:WO4414 1.8 10.2 0.5
O2 A:WO4414 1.8 9.8 0.5
O4 A:WO4414 1.8 11.2 0.5
N C:THR20 4.2 15.1 1.0
N A:THR20 4.3 14.6 1.0
N E:THR20 4.4 14.4 1.0
N A:VAL21 4.4 11.2 1.0
N C:VAL21 4.4 11.9 1.0
N E:VAL21 4.5 11.7 1.0
N A:MET22 4.5 8.2 1.0
N C:MET22 4.5 9.0 1.0
N E:MET22 4.5 8.4 1.0
CA C:GLY19 4.6 14.9 1.0
CA A:GLY19 4.7 14.0 1.0
CA E:GLY19 4.8 13.7 1.0
CB A:MET22 4.8 8.2 1.0
CB C:MET22 4.8 8.8 1.0
CB E:MET22 4.8 8.7 1.0
CB A:VAL21 4.9 9.7 1.0
C C:GLY19 4.9 14.6 1.0
CB E:VAL21 4.9 10.4 1.0
CG E:MET22 4.9 9.4 1.0
CB C:VAL21 5.0 10.8 1.0
C A:GLY19 5.0 14.2 1.0
CG C:MET22 5.0 9.9 1.0
CB C:THR20 5.0 16.3 1.0

Tungsten binding site 3 out of 16 in 1fr3

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Tungsten binding site 3 out of 16 in the The High Resolution Structure of A Molybdate Binding Protein From Sporomusa Ovata


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 3 of The High Resolution Structure of A Molybdate Binding Protein From Sporomusa Ovata within 5.0Å range:
probe atom residue distance (Å) B Occ
B:W402

b:6.8
occ:1.00
 W B:WO4402 0.0 6.8 1.0
O2 B:WO4402 1.7 7.3 1.0
O4 B:WO4402 1.8 6.1 1.0
O1 B:WO4402 1.8 4.6 1.0
O3 B:WO4402 1.8 4.4 1.0
O B:SER4 3.4 5.5 1.0
CG B:LYS59 3.7 4.2 1.0
C B:SER4 3.8 4.4 1.0
N E:THR39 3.9 5.5 1.0
NZ B:LYS59 4.0 4.8 1.0
CA B:GLY5 4.1 4.6 1.0
CB E:ILE38 4.1 6.2 1.0
N B:ALA60 4.1 4.5 1.0
OG E:SER42 4.1 9.5 1.0
N B:GLY5 4.1 5.0 1.0
CE B:LYS59 4.2 4.9 1.0
OG B:SER4 4.2 5.6 1.0
CA E:ILE38 4.2 6.5 1.0
N B:ARG6 4.2 5.0 1.0
CG B:ARG6 4.3 5.7 1.0
CG2 E:THR39 4.3 6.7 1.0
CB B:ALA60 4.3 3.5 1.0
OG1 E:THR39 4.3 7.8 1.0
CB B:SER4 4.4 4.6 1.0
CG2 E:ILE38 4.5 6.8 1.0
C E:ILE38 4.6 7.2 1.0
CD B:LYS59 4.6 4.6 1.0
C B:GLY5 4.6 4.9 1.0
CA B:SER4 4.7 5.3 1.0
CB E:THR39 4.8 7.2 1.0
CA B:ALA60 4.8 4.3 1.0
CA B:LYS59 4.8 4.2 1.0
CB B:LYS59 4.9 4.2 1.0
C B:LYS59 4.9 4.3 1.0
CA E:THR39 5.0 6.4 1.0
CB E:SER42 5.0 7.0 1.0

Tungsten binding site 4 out of 16 in 1fr3

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Tungsten binding site 4 out of 16 in the The High Resolution Structure of A Molybdate Binding Protein From Sporomusa Ovata


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 4 of The High Resolution Structure of A Molybdate Binding Protein From Sporomusa Ovata within 5.0Å range:
probe atom residue distance (Å) B Occ
B:W413

b:10.6
occ:0.50
 W B:WO4413 0.0 10.6 0.5
O2 B:WO4413 1.7 11.5 0.5
O1 B:WO4413 1.7 11.7 0.5
O3 B:WO4413 1.8 11.0 0.5
O4 B:WO4413 1.8 11.5 0.5
N B:THR20 4.2 14.6 1.0
N F:THR20 4.2 16.4 1.0
N D:THR20 4.4 16.5 1.0
N B:VAL21 4.4 11.8 1.0
N F:VAL21 4.4 14.0 1.0
N B:MET22 4.5 9.8 1.0
N F:MET22 4.5 11.1 1.0
N D:VAL21 4.5 13.3 1.0
N D:MET22 4.5 10.6 1.0
CA B:GLY19 4.7 14.2 1.0
CA F:GLY19 4.7 15.5 1.0
CB D:MET22 4.8 10.8 1.0
CB B:MET22 4.8 10.4 1.0
CA D:GLY19 4.8 15.7 1.0
C B:GLY19 4.9 14.1 1.0
CB B:VAL21 4.9 11.9 1.0
CB F:VAL21 4.9 12.3 1.0
CB F:THR20 4.9 17.8 1.0
C F:GLY19 4.9 15.6 1.0
CB B:THR20 4.9 16.0 1.0
CB F:MET22 4.9 11.0 1.0
CG D:MET22 5.0 11.6 1.0
CG B:MET22 5.0 10.6 1.0

Tungsten binding site 5 out of 16 in 1fr3

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Tungsten binding site 5 out of 16 in the The High Resolution Structure of A Molybdate Binding Protein From Sporomusa Ovata


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 5 of The High Resolution Structure of A Molybdate Binding Protein From Sporomusa Ovata within 5.0Å range:
probe atom residue distance (Å) B Occ
C:W404

b:8.6
occ:1.00
 W C:WO4404 0.0 8.6 1.0
O4 C:WO4404 1.8 6.7 1.0
O2 C:WO4404 1.8 6.8 1.0
O3 C:WO4404 1.8 6.5 1.0
O1 C:WO4404 1.8 6.3 1.0
O C:SER4 3.3 7.6 1.0
CG C:LYS59 3.7 5.8 1.0
C C:SER4 3.9 6.8 1.0
N F:THR39 4.0 7.2 1.0
NZ C:LYS59 4.0 6.1 1.0
N C:ALA60 4.0 5.1 1.0
OG F:SER42 4.1 10.5 1.0
CB F:ILE38 4.1 6.9 1.0
CA C:GLY5 4.2 6.6 1.0
OG C:SER4 4.2 6.6 1.0
CE C:LYS59 4.2 6.7 1.0
N C:GLY5 4.3 6.9 1.0
N C:ARG6 4.3 6.1 1.0
CA F:ILE38 4.3 8.1 1.0
CG C:ARG6 4.3 6.7 1.0
CB C:ALA60 4.3 4.7 1.0
OG1 F:THR39 4.3 8.2 1.0
CG2 F:THR39 4.3 7.9 1.0
CB C:SER4 4.4 6.3 1.0
CG2 F:ILE38 4.4 7.3 1.0
CD C:LYS59 4.6 6.0 1.0
C F:ILE38 4.6 8.4 1.0
C C:GLY5 4.7 6.8 1.0
CA C:SER4 4.7 7.0 1.0
CA C:LYS59 4.8 5.4 1.0
CA C:ALA60 4.8 5.7 1.0
CB F:THR39 4.8 7.3 1.0
CB C:LYS59 4.9 5.1 1.0
C C:LYS59 4.9 5.1 1.0
CB F:SER42 4.9 9.0 1.0

Tungsten binding site 6 out of 16 in 1fr3

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Tungsten binding site 6 out of 16 in the The High Resolution Structure of A Molybdate Binding Protein From Sporomusa Ovata


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 6 of The High Resolution Structure of A Molybdate Binding Protein From Sporomusa Ovata within 5.0Å range:
probe atom residue distance (Å) B Occ
D:W406

b:8.0
occ:1.00
 W D:WO4406 0.0 8.0 1.0
O3 D:WO4406 1.7 6.4 1.0
O1 D:WO4406 1.8 6.0 1.0
O4 D:WO4406 1.8 7.0 1.0
O2 D:WO4406 1.8 5.8 1.0
O D:SER4 3.3 6.2 1.0
CG D:LYS59 3.7 4.5 1.0
C D:SER4 3.8 6.5 1.0
NZ D:LYS59 3.9 4.4 1.0
N A:THR39 4.0 6.5 1.0
OG A:SER42 4.0 9.6 1.0
N D:ALA60 4.0 4.7 1.0
CB A:ILE38 4.1 6.7 1.0
CA D:GLY5 4.1 5.8 1.0
N D:GLY5 4.2 5.5 1.0
CE D:LYS59 4.2 4.7 1.0
OG D:SER4 4.2 6.5 1.0
N D:ARG6 4.3 6.5 1.0
CG D:ARG6 4.3 5.8 1.0
CA A:ILE38 4.3 6.6 1.0
CG2 A:THR39 4.3 7.6 1.0
CB D:ALA60 4.3 5.7 1.0
CB D:SER4 4.3 6.2 1.0
OG1 A:THR39 4.3 8.2 1.0
CG2 A:ILE38 4.5 6.7 1.0
CD D:LYS59 4.6 4.2 1.0
C A:ILE38 4.6 7.2 1.0
CA D:SER4 4.7 6.2 1.0
C D:GLY5 4.7 5.3 1.0
CA D:LYS59 4.8 4.6 1.0
CB A:THR39 4.8 6.9 1.0
CB D:LYS59 4.8 4.8 1.0
CA D:ALA60 4.8 5.0 1.0
C D:LYS59 4.9 4.1 1.0
CB A:SER42 4.9 9.2 1.0

Tungsten binding site 7 out of 16 in 1fr3

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Tungsten binding site 7 out of 16 in the The High Resolution Structure of A Molybdate Binding Protein From Sporomusa Ovata


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 7 of The High Resolution Structure of A Molybdate Binding Protein From Sporomusa Ovata within 5.0Å range:
probe atom residue distance (Å) B Occ
E:W401

b:9.0
occ:1.00
 W E:WO4401 0.0 9.0 1.0
O2 E:WO4401 1.7 7.3 1.0
O4 E:WO4401 1.7 8.4 1.0
O3 E:WO4401 1.8 6.4 1.0
O1 E:WO4401 1.8 5.8 1.0
O E:SER4 3.4 7.0 1.0
CG E:LYS59 3.7 4.2 1.0
C E:SER4 3.8 6.9 1.0
N B:THR39 3.9 8.0 1.0
N E:ALA60 4.0 5.4 1.0
NZ E:LYS59 4.0 6.4 1.0
CA E:GLY5 4.1 7.6 1.0
CB B:ILE38 4.1 7.3 1.0
OG B:SER42 4.1 12.1 1.0
N E:GLY5 4.2 6.8 1.0
CG2 B:THR39 4.2 9.3 1.0
OG E:SER4 4.2 6.5 1.0
N E:ARG6 4.2 7.5 1.0
CA B:ILE38 4.3 7.1 1.0
CE E:LYS59 4.3 5.7 1.0
OG1 B:THR39 4.3 9.6 1.0
CG E:ARG6 4.3 8.1 1.0
CB E:ALA60 4.3 4.2 1.0
CB E:SER4 4.3 6.8 1.0
CG2 B:ILE38 4.5 6.9 1.0
CD E:LYS59 4.6 4.9 1.0
C B:ILE38 4.6 8.0 1.0
C E:GLY5 4.6 7.2 1.0
CA E:SER4 4.7 7.3 1.0
CB B:THR39 4.7 9.1 1.0
CA E:ALA60 4.8 5.0 1.0
CA E:LYS59 4.8 5.0 1.0
CB E:LYS59 4.9 4.6 1.0
C E:LYS59 4.9 5.0 1.0
CA B:THR39 4.9 8.3 1.0

Tungsten binding site 8 out of 16 in 1fr3

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Tungsten binding site 8 out of 16 in the The High Resolution Structure of A Molybdate Binding Protein From Sporomusa Ovata


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 8 of The High Resolution Structure of A Molybdate Binding Protein From Sporomusa Ovata within 5.0Å range:
probe atom residue distance (Å) B Occ
F:W403

b:8.3
occ:1.00
 W F:WO4403 0.0 8.3 1.0
O3 F:WO4403 1.7 7.4 1.0
O2 F:WO4403 1.8 6.8 1.0
O4 F:WO4403 1.8 4.9 1.0
O1 F:WO4403 1.8 5.3 1.0
O F:SER4 3.4 7.0 1.0
CG F:LYS59 3.7 4.9 1.0
C F:SER4 3.9 6.9 1.0
N C:THR39 4.0 5.9 1.0
NZ F:LYS59 4.0 6.0 1.0
N F:ALA60 4.0 5.1 1.0
OG C:SER42 4.1 8.5 1.0
CB C:ILE38 4.1 7.1 1.0
CE F:LYS59 4.1 6.0 1.0
OG F:SER4 4.1 6.6 1.0
CA F:GLY5 4.2 6.6 1.0
CG2 C:THR39 4.2 7.9 1.0
N F:ARG6 4.3 5.9 1.0
CG F:ARG6 4.3 6.5 1.0
CB F:ALA60 4.3 5.9 1.0
N F:GLY5 4.3 5.5 1.0
CA C:ILE38 4.3 6.6 1.0
CG2 C:ILE38 4.3 7.3 1.0
OG1 C:THR39 4.3 8.2 1.0
CB F:SER4 4.4 7.0 1.0
CD F:LYS59 4.6 5.4 1.0
C C:ILE38 4.7 6.9 1.0
CA F:SER4 4.7 6.9 1.0
C F:GLY5 4.7 5.7 1.0
CB C:THR39 4.8 7.1 1.0
CA F:ALA60 4.8 5.3 1.0
CA F:LYS59 4.8 4.6 1.0
CB F:LYS59 4.9 5.3 1.0
C F:LYS59 4.9 4.6 1.0
CB C:SER42 4.9 8.0 1.0

Tungsten binding site 9 out of 16 in 1fr3

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Tungsten binding site 9 out of 16 in the The High Resolution Structure of A Molybdate Binding Protein From Sporomusa Ovata


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 9 of The High Resolution Structure of A Molybdate Binding Protein From Sporomusa Ovata within 5.0Å range:
probe atom residue distance (Å) B Occ
G:W411

b:10.2
occ:1.00
 W G:WO4411 0.0 10.2 1.0
O4 G:WO4411 1.7 7.2 1.0
O2 G:WO4411 1.7 7.4 1.0
O1 G:WO4411 1.8 7.8 1.0
O3 G:WO4411 1.8 6.7 1.0
O G:SER4 3.5 8.9 1.0
CG G:LYS59 3.8 6.2 1.0
C G:SER4 3.9 8.6 1.0
N J:THR39 3.9 7.6 1.0
CB J:ILE38 4.0 7.2 1.0
NZ G:LYS59 4.0 6.2 1.0
OG J:SER42 4.0 11.4 1.0
N G:ALA60 4.0 5.2 1.0
CA G:GLY5 4.1 9.1 1.0
OG G:SER4 4.2 9.0 1.0
N G:GLY5 4.2 8.0 1.0
CA J:ILE38 4.2 6.9 1.0
CG2 J:THR39 4.2 9.7 1.0
N G:ARG6 4.3 9.4 1.0
CB G:ALA60 4.3 4.4 1.0
CE G:LYS59 4.3 6.3 1.0
CG G:ARG6 4.3 10.1 1.0
CB G:SER4 4.4 9.3 1.0
CG2 J:ILE38 4.5 6.8 1.0
OG1 J:THR39 4.5 9.7 1.0
C J:ILE38 4.6 7.7 1.0
C G:GLY5 4.7 9.8 1.0
CD G:LYS59 4.7 6.0 1.0
CA G:SER4 4.7 9.0 1.0
CA G:LYS59 4.8 5.6 1.0
CA G:ALA60 4.8 4.4 1.0
CB J:THR39 4.8 8.4 1.0
C G:LYS59 4.9 5.2 1.0
CB G:LYS59 4.9 6.3 1.0
CB J:SER42 4.9 10.9 1.0

Tungsten binding site 10 out of 16 in 1fr3

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Tungsten binding site 10 out of 16 in the The High Resolution Structure of A Molybdate Binding Protein From Sporomusa Ovata


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 10 of The High Resolution Structure of A Molybdate Binding Protein From Sporomusa Ovata within 5.0Å range:
probe atom residue distance (Å) B Occ
G:W416

b:11.0
occ:0.50
 W G:WO4416 0.0 11.0 0.5
O1 G:WO4416 1.7 12.3 0.5
O2 G:WO4416 1.8 12.4 0.5
O3 G:WO4416 1.8 12.2 0.5
O4 G:WO4416 1.8 12.7 0.5
N G:THR20 4.2 16.4 1.0
N I:THR20 4.2 16.7 1.0
N I:VAL21 4.4 14.3 1.0
N K:THR20 4.4 16.2 1.0
N G:VAL21 4.4 13.8 1.0
N K:MET22 4.5 11.5 1.0
N K:VAL21 4.5 13.7 1.0
N G:MET22 4.5 11.5 1.0
N I:MET22 4.5 11.9 1.0
CA G:GLY19 4.7 15.7 1.0
CA K:GLY19 4.7 16.7 1.0
CA I:GLY19 4.7 16.3 1.0
CB K:MET22 4.8 11.9 1.0
CB G:VAL21 4.9 13.2 1.0
CB I:THR20 4.9 18.6 1.0
CB G:MET22 4.9 10.6 1.0
CB I:MET22 4.9 11.7 1.0
C G:GLY19 4.9 15.8 1.0
CB K:VAL21 4.9 13.0 1.0
C I:GLY19 4.9 16.2 1.0
CG K:MET22 4.9 12.4 1.0
CB I:VAL21 4.9 12.8 1.0
CG G:MET22 5.0 11.0 1.0
C K:GLY19 5.0 16.3 1.0

Reference:

U.G.Wagner, E.Stupperich, C.Kratky. Structure of the Molybdate/Tungstate Binding Protein Mop From Sporomusa Ovata. Structure Fold.Des. V. 8 1127 2000.
ISSN: ISSN 0969-2126
PubMed: 11080635
DOI: 10.1016/S0969-2126(00)00525-6
Page generated: Wed Dec 16 02:33:03 2020

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