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Tungsten in PDB 7zqq: Molybdenum Storage Protein - LB131H

Protein crystallography data

The structure of Molybdenum Storage Protein - LB131H, PDB code: 7zqq was solved by U.Ermler, I.Aziz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.85 / 1.75
Space group P 63 2 2
Cell size a, b, c (Å), α, β, γ (°) 115.04, 115.04, 234.41, 90, 90, 120
R / Rfree (%) 20.7 / 22

Other elements in 7zqq:

The structure of Molybdenum Storage Protein - LB131H also contains other interesting chemical elements:

Chlorine (Cl) 1 atom
Magnesium (Mg) 1 atom

Tungsten Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 33;

Binding sites:

The binding sites of Tungsten atom in the Molybdenum Storage Protein - LB131H (pdb code 7zqq). This binding sites where shown within 5.0 Angstroms radius around Tungsten atom.
In total 33 binding sites of Tungsten where determined in the Molybdenum Storage Protein - LB131H, PDB code: 7zqq:
Jump to Tungsten binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Tungsten binding site 1 out of 33 in 7zqq

Go back to Tungsten Binding Sites List in 7zqq
Tungsten binding site 1 out of 33 in the Molybdenum Storage Protein - LB131H


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 1 of Molybdenum Storage Protein - LB131H within 5.0Å range:
probe atom residue distance (Å) B Occ
A:W303

b:204.3
occ:1.00
W A:UNL303 0.0 204.3 1.0
O3 A:UNL303 1.7 203.6 1.0
O1 A:UNL303 2.1 201.9 1.0
NE2 A:HIS140 2.3 43.4 1.0
O4 A:UNL303 2.4 140.6 0.3
O2 A:UNL303 2.5 203.7 1.0
CE1 A:HIS140 3.2 44.3 1.0
CD2 A:HIS140 3.3 41.1 1.0
ND1 A:HIS140 4.4 43.5 1.0
CG A:HIS140 4.4 36.2 1.0
CG2 A:THR132 4.6 44.3 1.0

Tungsten binding site 2 out of 33 in 7zqq

Go back to Tungsten Binding Sites List in 7zqq
Tungsten binding site 2 out of 33 in the Molybdenum Storage Protein - LB131H


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 2 of Molybdenum Storage Protein - LB131H within 5.0Å range:
probe atom residue distance (Å) B Occ
A:W304

b:502.8
occ:1.00
W A:UNL304 0.0 502.8 1.0
O4 A:UNL304 1.7 509.9 0.3
O3 A:UNL304 1.8 497.1 1.0
O2 A:UNL304 1.9 509.7 1.0
O1 A:UNL304 2.0 511.1 1.0
O A:HOH482 3.6 64.1 1.0
OG1 A:THR132 3.9 47.7 1.0
CB A:GLU129 3.9 189.4 1.0
O112 A:UNL305 4.1 267.5 0.0
CG A:GLU129 4.1 252.9 1.0
O33 A:UNL305 4.2 230.2 0.0
CD A:PRO131 4.5 40.3 1.0
CB A:PRO131 4.5 42.2 1.0
CG A:PRO131 4.6 42.9 1.0
O111 A:UNL305 4.7 247.7 0.0
N A:THR132 4.8 36.9 1.0

Tungsten binding site 3 out of 33 in 7zqq

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Tungsten binding site 3 out of 33 in the Molybdenum Storage Protein - LB131H


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 3 of Molybdenum Storage Protein - LB131H within 5.0Å range:
probe atom residue distance (Å) B Occ
A:W305

b:233.3
occ:0.70
W1 A:UNL305 0.0 233.3 0.7
O32 A:UNL305 1.8 232.8 0.0
O15 A:UNL305 2.0 231.1 0.0
O16 A:UNL305 2.0 237.9 0.0
O72 A:UNL305 2.1 230.2 0.0
O14 A:UNL305 2.2 240.7 0.0
O13 A:UNL305 2.4 235.1 0.0
W13 A:UNL305 2.8 238.4 0.7
W7 A:UNL305 3.1 227.2 0.7
W3 A:UNL305 3.2 233.3 0.7
O71 A:UNL305 3.2 234.0 0.0
W12 A:UNL305 3.3 231.0 0.7
O31 A:UNL305 3.3 230.1 0.0
O133 A:UNL305 3.5 239.8 0.0
P A:UNL305 3.7 229.8 0.7
O121 A:UNL305 3.8 235.5 0.0
O82 A:UNL305 3.8 220.0 0.0
O74 B:UNL302 4.0 157.2 0.0
W9 A:UNL305 4.2 245.3 0.7
O131 A:UNL305 4.3 239.4 0.0
W2 A:UNL305 4.3 222.8 0.7
O21 A:UNL305 4.3 218.4 0.0
O23 A:UNL305 4.4 220.9 0.0
O132 A:UNL305 4.4 238.9 0.0
CD2 A:HIS130 4.4 52.4 1.0
O92 A:UNL305 4.5 235.9 0.0
O33 A:UNL305 4.5 230.2 0.0
CE1 A:HIS156 4.5 46.4 1.0
OE2 A:GLU129 4.6 280.1 1.0
O75 B:UNL302 4.7 157.2 0.0
O12 A:UNL305 4.7 242.1 0.0
O A:HOH417 4.8 40.2 1.0
O74 A:UNL305 4.8 236.6 0.0
O45 A:UNL305 4.8 254.5 0.0
O123 A:UNL305 4.9 240.4 0.0
W8 A:UNL305 5.0 209.1 0.7
O111 A:UNL305 5.0 247.7 0.0

Tungsten binding site 4 out of 33 in 7zqq

Go back to Tungsten Binding Sites List in 7zqq
Tungsten binding site 4 out of 33 in the Molybdenum Storage Protein - LB131H


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 4 of Molybdenum Storage Protein - LB131H within 5.0Å range:
probe atom residue distance (Å) B Occ
A:W305

b:222.5
occ:0.70
W10 A:UNL305 0.0 222.5 0.7
O101 A:UNL305 1.8 222.9 0.0
O102 A:UNL305 2.0 240.6 0.0
O84 A:UNL305 2.1 213.6 0.0
O104 A:UNL305 2.2 221.6 0.0
O103 A:UNL305 2.2 224.6 0.0
OE2 A:GLU129 2.3 280.1 1.0
CD A:GLU129 2.4 276.8 1.0
OE1 A:GLU129 2.7 276.2 1.0
O111 A:UNL305 3.2 247.7 0.0
CG A:GLU129 3.3 252.9 1.0
W6 A:UNL305 3.4 223.1 0.7
W11 A:UNL305 3.4 259.7 0.7
P A:UNL305 3.5 229.8 0.7
W8 A:UNL305 3.5 209.1 0.7
O21 A:UNL305 3.8 218.4 0.0
O52 A:UNL305 3.9 221.5 0.0
O62 A:UNL305 4.0 267.4 0.0
O15 A:UNL305 4.2 231.1 0.0
CE1 A:HIS114 4.2 26.9 1.0
O71 A:UNL305 4.3 234.0 0.0
O82 A:UNL305 4.4 220.0 0.0
W7 A:UNL305 4.4 227.2 0.7
O81 A:UNL305 4.4 205.3 0.0
W3 A:UNL305 4.5 233.3 0.7
CE2 A:TYR127 4.5 27.6 1.0
O83 A:UNL305 4.5 206.5 0.0
NE2 A:HIS114 4.6 30.7 1.0
CB A:GLU129 4.7 189.4 1.0
W5 A:UNL305 4.8 218.4 0.7
O43 A:UNL305 4.8 223.9 0.0
O112 A:UNL305 4.9 267.5 0.0
O113 A:UNL305 4.9 267.5 0.0
O74 A:UNL305 4.9 236.6 0.0
O12 A:UNL305 4.9 242.1 0.0
CD2 A:TYR127 5.0 29.2 1.0
O61 A:UNL305 5.0 224.2 0.0

Tungsten binding site 5 out of 33 in 7zqq

Go back to Tungsten Binding Sites List in 7zqq
Tungsten binding site 5 out of 33 in the Molybdenum Storage Protein - LB131H


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 5 of Molybdenum Storage Protein - LB131H within 5.0Å range:
probe atom residue distance (Å) B Occ
A:W305

b:259.7
occ:0.70
W11 A:UNL305 0.0 259.7 0.7
O113 A:UNL305 1.9 267.5 0.0
O112 A:UNL305 1.9 267.5 0.0
O111 A:UNL305 1.9 247.7 0.0
O102 A:UNL305 2.0 240.6 0.0
O62 A:UNL305 2.1 267.4 0.0
O103 A:UNL305 2.3 224.6 0.0
W6 A:UNL305 3.2 223.1 0.7
W10 A:UNL305 3.4 222.5 0.7
O43 A:UNL305 3.4 223.9 0.0
O104 A:UNL305 3.7 221.6 0.0
P A:UNL305 3.8 229.8 0.7
O31 A:UNL305 3.9 230.1 0.0
W3 A:UNL305 3.9 233.3 0.7
CG A:GLU129 4.1 252.9 1.0
O12 A:UNL305 4.2 242.1 0.0
O46 A:UNL305 4.3 219.1 0.0
OE2 A:GLU129 4.3 280.1 1.0
O4 A:UNL304 4.4 509.9 0.3
CD A:GLU129 4.4 276.8 1.0
O33 A:UNL305 4.4 230.2 0.0
O101 A:UNL305 4.7 222.9 0.0
W4 A:UNL305 4.8 223.5 0.7
O15 A:UNL305 4.8 231.1 0.0
O61 A:UNL305 4.8 224.2 0.0
O52 A:UNL305 4.9 221.5 0.0

Tungsten binding site 6 out of 33 in 7zqq

Go back to Tungsten Binding Sites List in 7zqq
Tungsten binding site 6 out of 33 in the Molybdenum Storage Protein - LB131H


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 6 of Molybdenum Storage Protein - LB131H within 5.0Å range:
probe atom residue distance (Å) B Occ
A:W305

b:231.0
occ:0.70
W12 A:UNL305 0.0 231.0 0.7
O123 A:UNL305 2.0 240.4 0.0
O72 A:UNL305 2.0 230.2 0.0
O121 A:UNL305 2.1 235.5 0.0
O82 A:UNL305 2.1 220.0 0.0
O23 A:UNL305 2.2 220.9 0.0
O13 A:UNL305 2.2 235.1 0.0
W7 A:UNL305 3.1 227.2 0.7
W13 A:UNL305 3.2 238.4 0.7
W1 A:UNL305 3.3 233.3 0.7
W8 A:UNL305 3.5 209.1 0.7
O15 A:UNL305 3.6 231.1 0.0
O A:ALA106 3.6 20.7 1.0
W2 A:UNL305 3.6 222.8 0.7
O16 A:UNL305 3.9 237.9 0.0
O22 A:UNL305 3.9 218.2 0.0
O21 A:UNL305 4.0 218.4 0.0
O132 A:UNL305 4.0 238.9 0.0
C A:ALA106 4.0 21.8 1.0
O83 A:UNL305 4.2 206.5 0.0
O74 A:UNL305 4.2 236.6 0.0
O A:HOH417 4.2 40.2 1.0
N A:SER107 4.4 19.6 1.0
CA A:SER107 4.4 20.2 1.0
CB A:ALA106 4.4 22.9 1.0
O131 A:UNL305 4.6 239.4 0.0
O71 A:UNL305 4.6 234.0 0.0
P A:UNL305 4.7 229.8 0.7
O14 A:UNL305 4.7 240.7 0.0
OG A:SER150 4.7 20.8 1.0
CA A:GLY110 4.8 17.5 1.0
NE2 A:HIS130 4.8 52.0 1.0
CB A:SER150 4.8 18.3 1.0
O32 A:UNL305 4.8 232.8 0.0
O133 A:UNL305 4.8 239.8 0.0
CA A:ALA106 4.8 19.7 1.0
OH A:TYR127 4.9 28.5 1.0
N A:GLY110 4.9 18.0 1.0
O84 A:UNL305 4.9 213.6 0.0
CD2 A:HIS130 5.0 52.4 1.0
OE2 A:GLU129 5.0 280.1 1.0

Tungsten binding site 7 out of 33 in 7zqq

Go back to Tungsten Binding Sites List in 7zqq
Tungsten binding site 7 out of 33 in the Molybdenum Storage Protein - LB131H


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 7 of Molybdenum Storage Protein - LB131H within 5.0Å range:
probe atom residue distance (Å) B Occ
A:W305

b:238.4
occ:0.70
W13 A:UNL305 0.0 238.4 0.7
O132 A:UNL305 1.8 238.9 0.0
O133 A:UNL305 1.8 239.8 0.0
O16 A:UNL305 1.8 237.9 0.0
O131 A:UNL305 1.9 239.4 0.0
O13 A:UNL305 2.1 235.1 0.0
O121 A:UNL305 2.1 235.5 0.0
W1 A:UNL305 2.8 233.3 0.7
O14 A:UNL305 3.1 240.7 0.0
W12 A:UNL305 3.2 231.0 0.7
O22 A:UNL305 3.5 218.2 0.0
O72 A:UNL305 3.6 230.2 0.0
O74 B:UNL302 3.8 157.2 0.0
W2 A:UNL305 3.8 222.8 0.7
NE2 A:HIS156 3.9 42.2 1.0
CE1 A:HIS156 3.9 46.4 1.0
O92 A:UNL305 3.9 235.9 0.0
O23 A:UNL305 4.1 220.9 0.0
O15 A:UNL305 4.2 231.1 0.0
O A:HOH417 4.3 40.2 1.0
O A:PRO103 4.3 20.9 1.0
CB A:ALA106 4.3 22.9 1.0
W9 A:UNL305 4.4 245.3 0.7
O32 A:UNL305 4.6 232.8 0.0
O91 A:UNL305 4.6 254.5 0.0
ND1 A:HIS156 4.6 44.5 1.0
CD2 A:HIS156 4.7 43.0 1.0
CB A:PRO103 4.7 24.1 1.0
CA A:PRO103 4.8 19.7 1.0
N A:SER107 4.9 19.6 1.0
O82 A:UNL305 4.9 220.0 0.0
O22 B:UNL302 5.0 69.2 0.0
O21 A:UNL305 5.0 218.4 0.0
C A:PRO103 5.0 19.8 1.0

Tungsten binding site 8 out of 33 in 7zqq

Go back to Tungsten Binding Sites List in 7zqq
Tungsten binding site 8 out of 33 in the Molybdenum Storage Protein - LB131H


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 8 of Molybdenum Storage Protein - LB131H within 5.0Å range:
probe atom residue distance (Å) B Occ
A:W305

b:222.8
occ:0.70
W2 A:UNL305 0.0 222.8 0.7
O22 A:UNL305 1.7 218.2 0.0
O21 A:UNL305 1.8 218.4 0.0
O24 A:UNL305 2.0 219.4 0.0
O23 A:UNL305 2.1 220.9 0.0
O92 A:UNL305 2.2 235.9 0.0
O13 A:UNL305 2.2 235.1 0.0
P A:UNL305 3.0 229.8 0.7
W8 A:UNL305 3.1 209.1 0.7
W5 A:UNL305 3.2 218.4 0.7
O81 A:UNL305 3.2 205.3 0.0
O12 A:UNL305 3.4 242.1 0.0
W9 A:UNL305 3.5 245.3 0.7
O132 A:UNL305 3.6 238.9 0.0
W12 A:UNL305 3.6 231.0 0.7
O15 A:UNL305 3.8 231.1 0.0
W13 A:UNL305 3.8 238.4 0.7
O82 A:UNL305 3.9 220.0 0.0
O14 A:UNL305 3.9 240.7 0.0
O44 A:UNL305 4.2 236.5 0.0
O133 A:UNL305 4.2 239.8 0.0
O121 A:UNL305 4.3 235.5 0.0
O41 A:UNL305 4.3 221.5 0.0
W1 A:UNL305 4.3 233.3 0.7
CA A:SER107 4.4 20.2 1.0
CB A:SER107 4.4 23.2 0.3
CB A:SER107 4.4 22.3 0.7
OG A:SER107 4.4 25.3 0.7
O83 A:UNL305 4.6 206.5 0.0
O51 A:UNL305 4.6 214.8 0.0
O52 A:UNL305 4.6 221.5 0.0
O103 A:UNL305 4.7 224.6 0.0
O84 A:UNL305 4.7 213.6 0.0
O72 A:UNL305 4.7 230.2 0.0
O91 A:UNL305 4.8 254.5 0.0
NE2 A:GLN111 4.9 38.0 1.0
W4 A:UNL305 4.9 223.5 0.7

Tungsten binding site 9 out of 33 in 7zqq

Go back to Tungsten Binding Sites List in 7zqq
Tungsten binding site 9 out of 33 in the Molybdenum Storage Protein - LB131H


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 9 of Molybdenum Storage Protein - LB131H within 5.0Å range:
probe atom residue distance (Å) B Occ
A:W305

b:233.3
occ:0.70
W3 A:UNL305 0.0 233.3 0.7
O31 A:UNL305 1.8 230.1 0.0
O33 A:UNL305 1.8 230.2 0.0
O32 A:UNL305 1.9 232.8 0.0
O71 A:UNL305 2.0 234.0 0.0
O111 A:UNL305 2.1 247.7 0.0
O15 A:UNL305 2.2 231.1 0.0
OE2 A:GLU129 3.1 280.1 1.0
W1 A:UNL305 3.2 233.3 0.7
P A:UNL305 3.3 229.8 0.7
W7 A:UNL305 3.4 227.2 0.7
O14 A:UNL305 3.6 240.7 0.0
CG A:GLU129 3.8 252.9 1.0
O103 A:UNL305 3.8 224.6 0.0
CD A:GLU129 3.9 276.8 1.0
W11 A:UNL305 3.9 259.7 0.7
CB A:GLU129 4.1 189.4 1.0
O72 A:UNL305 4.1 230.2 0.0
O113 A:UNL305 4.2 267.5 0.0
O102 A:UNL305 4.4 240.6 0.0
O1 A:UNL304 4.4 511.1 1.0
CD A:PRO131 4.5 40.3 1.0
O12 A:UNL305 4.5 242.1 0.0
W10 A:UNL305 4.5 222.5 0.7
O45 A:UNL305 4.5 254.5 0.0
O74 A:UNL305 4.7 236.6 0.0
O13 A:UNL305 4.7 235.1 0.0
O82 A:UNL305 4.8 220.0 0.0
O21 A:UNL305 4.8 218.4 0.0
W9 A:UNL305 4.9 245.3 0.7
N A:HIS130 4.9 37.0 1.0
O112 A:UNL305 4.9 267.5 0.0

Tungsten binding site 10 out of 33 in 7zqq

Go back to Tungsten Binding Sites List in 7zqq
Tungsten binding site 10 out of 33 in the Molybdenum Storage Protein - LB131H


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 10 of Molybdenum Storage Protein - LB131H within 5.0Å range:
probe atom residue distance (Å) B Occ
A:W305

b:223.5
occ:0.70
W4 A:UNL305 0.0 223.5 0.7
O46 A:UNL305 1.8 219.1 0.0
O42 A:UNL305 1.9 219.2 0.0
O41 A:UNL305 2.1 221.5 0.0
O44 A:UNL305 2.1 236.5 0.0
O43 A:UNL305 2.2 223.9 0.0
O12 A:UNL305 2.2 242.1 0.0
W9 A:UNL305 3.4 245.3 0.7
W6 A:UNL305 3.7 223.1 0.7
O45 A:UNL305 3.7 254.5 0.0
O52 A:UNL305 3.7 221.5 0.0
O113 A:UNL305 3.7 267.5 0.0
W5 A:UNL305 3.8 218.4 0.7
O92 A:UNL305 3.9 235.9 0.0
P A:UNL305 3.9 229.8 0.7
O103 A:UNL305 3.9 224.6 0.0
O21 A:UNL305 4.4 218.4 0.0
O24 A:UNL305 4.4 219.4 0.0
O91 A:UNL305 4.7 254.5 0.0
O61 A:UNL305 4.7 224.2 0.0
O62 A:UNL305 4.7 267.4 0.0
W11 A:UNL305 4.8 259.7 0.7
W2 A:UNL305 4.9 222.8 0.7
O51 A:UNL305 5.0 214.8 0.0

Reference:

I.Aziz, S.Kaltwasser, K.Kayastha, R.Khera, J.Vonck, U.Ermler. The Molybdenum Storage Protein Forms and Deposits Distinct Polynuclear Tungsten Oxygen Aggregates. J.Inorg.Biochem. V. 234 11904 2022.
ISSN: ISSN 0162-0134
PubMed: 35779405
DOI: 10.1016/J.JINORGBIO.2022.111904
Page generated: Fri Apr 7 20:21:55 2023

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