Tungsten in PDB 7zr4: Molybdenum Storage Protein Loaded with Polyoxotungstates in the in Vivo-Like State

The structure of Molybdenum Storage Protein Loaded with Polyoxotungstates in the in Vivo-Like State, PDB code: 7zr4 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)	46.49 / 1.70
Space group	P 63 2 2
Cell size a, b, c (Å), α, β, γ (°)	115.67, 115.67, 234.49, 90, 90, 120
R / Rfree (%)	21.8 / 24

The structure of Molybdenum Storage Protein Loaded with Polyoxotungstates in the in Vivo-Like State also contains other interesting chemical elements:

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

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 39;

Binding sites:

The binding sites of Tungsten atom in the Molybdenum Storage Protein Loaded with Polyoxotungstates in the in Vivo-Like State (pdb code 7zr4). This binding sites where shown within 5.0 Angstroms radius around Tungsten atom.
In total 39 binding sites of Tungsten where determined in the Molybdenum Storage Protein Loaded with Polyoxotungstates in the in Vivo-Like State, PDB code: 7zr4:
Jump to Tungsten binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Tungsten binding site 1 out of 39 in the Molybdenum Storage Protein Loaded with Polyoxotungstates in the in Vivo-Like State


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 Loaded with Polyoxotungstates in the in Vivo-Like State within 5.0Å range: probe atom residue distance (Å) B Occ A:W303 b:143.0 occ:1.00 W1 A:UNL303 0.0 143.0 1.0 O13 A:UNL303 1.9 144.7 0.0 O12 A:UNL303 2.1 85.5 0.0 O14 A:UNL303 2.1 82.5 0.0 O11 A:UNL303 2.1 157.4 0.0 NE2 A:HIS140 2.3 78.1 1.0 CD2 A:HIS140 3.3 70.9 1.0 CE1 A:HIS140 3.3 75.9 1.0 W2 A:UNL303 3.7 142.5 0.6 O32 A:UNL303 3.9 139.4 0.0 O22 A:UNL303 4.0 124.2 0.0 CG A:HIS140 4.4 64.5 1.0 ND1 A:HIS140 4.4 72.3 1.0 O21 A:UNL303 4.8 144.3 0.0 CG2 A:THR132 4.8 51.6 1.0

Tungsten binding site 2 out of 39 in the Molybdenum Storage Protein Loaded with Polyoxotungstates in the in Vivo-Like State


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 Loaded with Polyoxotungstates in the in Vivo-Like State within 5.0Å range: probe atom residue distance (Å) B Occ A:W303 b:142.5 occ:0.59 W2 A:UNL303 0.0 142.5 0.6 O22 A:UNL303 1.7 124.2 0.0 O11 A:UNL303 1.9 157.4 0.0 O21 A:UNL303 2.0 144.3 0.0 O32 A:UNL303 2.1 139.4 0.0 O35 A:UNL303 2.2 73.9 0.0 OG1 A:THR132 2.3 76.2 1.0 CB A:THR132 3.3 60.1 1.0 W3 A:UNL303 3.5 138.3 0.7 CG2 A:THR132 3.5 51.6 1.0 W1 A:UNL303 3.7 143.0 1.0 O13 A:UNL303 4.2 144.7 0.0 O12 A:UNL303 4.3 85.5 0.0 O31 A:UNL303 4.3 139.8 0.0 CG A:GLU129 4.3 60.2 1.0 NE2 A:HIS140 4.3 78.1 1.0 N A:GLU129 4.4 37.1 1.0 CA A:THR132 4.7 53.7 1.0 CE1 A:HIS140 4.7 75.9 1.0 CB A:VAL128 4.7 42.0 1.0 CG1 A:VAL128 4.8 44.0 1.0 CA A:VAL128 4.8 34.1 1.0 CB A:GLU129 5.0 46.0 1.0

Tungsten binding site 3 out of 39 in the Molybdenum Storage Protein Loaded with Polyoxotungstates in the in Vivo-Like State


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 Loaded with Polyoxotungstates in the in Vivo-Like State within 5.0Å range: probe atom residue distance (Å) B Occ A:W303 b:138.3 occ:0.65 W3 A:UNL303 0.0 138.3 0.7 O34 A:UNL303 2.1 139.8 0.0 O32 A:UNL303 2.1 139.4 0.0 O35 A:UNL303 2.1 73.9 0.0 O31 A:UNL303 2.1 139.8 0.0 O33 A:UNL303 2.3 100.3 0.0 W2 A:UNL303 3.5 142.5 0.6 O22 A:UNL303 3.6 124.2 0.0 OG1 A:THR132 4.2 76.2 1.0 CG A:GLU129 4.7 60.2 1.0

Tungsten binding site 4 out of 39 in the Molybdenum Storage Protein Loaded with Polyoxotungstates in the in Vivo-Like State


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 Loaded with Polyoxotungstates in the in Vivo-Like State within 5.0Å range: probe atom residue distance (Å) B Occ A:W304 b:45.2 occ:0.61 W1 A:UNL304 0.0 45.2 0.6 O1 A:UNL304 1.9 55.3 0.6 O5 A:UNL304 2.0 70.2 0.9 O24 A:UNL304 2.0 58.2 0.5 O4 A:UNL304 2.1 54.9 1.0 O2 A:UNL304 2.2 59.9 0.0 O3 A:UNL304 2.2 66.1 0.0 W3 A:UNL304 3.2 63.5 0.5 W2 A:UNL304 3.3 54.4 0.4 W8 A:UNL304 3.3 103.8 0.5 W4 A:UNL304 3.5 45.3 0.6 W7 A:UNL304 3.7 194.8 1.0 O26 A:UNL304 3.8 73.5 0.8 O6 A:UNL304 3.9 79.1 0.3 O7 A:UNL304 4.0 48.4 0.8 O30 A:UNL304 4.2 198.8 1.0 O29 A:UNL304 4.2 156.1 1.0 NE2 A:GLN111 4.2 38.9 1.0 O10 A:UNL304 4.2 60.1 1.0 OH A:TYR127 4.2 33.2 1.0 CA A:GLY110 4.2 28.1 1.0 CE1 A:HIS114 4.3 39.7 1.0 O9 A:UNL304 4.5 73.8 1.0 O25 A:UNL304 4.6 61.7 1.0 O11 A:UNL304 4.6 61.4 0.0 O15 A:UNL304 4.6 99.8 1.0 O8 A:UNL304 4.7 43.6 0.9 C A:GLY110 4.7 29.8 1.0 O22 A:UNL304 4.7 95.0 0.0 CE2 A:TYR127 4.7 31.4 1.0 ND1 A:HIS114 4.8 39.5 1.0 O33 A:UNL304 4.8 95.9 1.0 CZ A:TYR127 4.8 32.4 1.0 O28 A:UNL304 4.9 197.6 1.0 O A:GLY110 5.0 28.0 1.0 O12 A:UNL304 5.0 49.8 0.3

Tungsten binding site 5 out of 39 in the Molybdenum Storage Protein Loaded with Polyoxotungstates in the in Vivo-Like State


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 Loaded with Polyoxotungstates in the in Vivo-Like State within 5.0Å range: probe atom residue distance (Å) B Occ A:W304 b:172.7 occ:1.00 W10 A:UNL304 0.0 172.7 1.0 O104 A:UNL304 1.6 238.8 1.0 O103 A:UNL304 1.6 139.1 1.0 O16 A:UNL304 1.6 136.4 0.0 O102 A:UNL304 1.7 248.9 1.0 O17 A:UNL304 1.9 105.8 0.0 O15 A:UNL304 2.2 99.8 1.0 W5 A:UNL304 2.6 79.2 0.4 O20 A:UNL304 2.7 88.4 0.0 W9 A:UNL304 2.9 110.3 0.4 O33 A:UNL304 3.3 95.9 1.0 O14 A:UNL304 3.3 65.8 1.0 W6 A:UNL304 3.5 65.2 0.5 O31 A:UNL304 3.7 110.9 1.0 O25 A:UNL304 3.7 61.7 1.0 O11 A:UNL304 4.0 61.4 0.0 O32 A:UNL304 4.1 76.6 1.0 NE2 A:HIS156 4.5 48.8 1.0 W8 A:UNL304 4.6 103.8 0.5 O18 A:UNL304 4.6 72.7 1.0 O1 B:UNL303 4.7 62.6 0.0 O29 A:UNL304 4.8 156.1 1.0 O5 A:UNL304 4.8 70.2 0.9 O19 A:UNL304 4.9 63.7 0.0 CD2 A:HIS156 4.9 47.2 1.0

Tungsten binding site 6 out of 39 in the Molybdenum Storage Protein Loaded with Polyoxotungstates in the in Vivo-Like State


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 Loaded with Polyoxotungstates in the in Vivo-Like State within 5.0Å range: probe atom residue distance (Å) B Occ A:W304 b:54.4 occ:0.37 W2 A:UNL304 0.0 54.4 0.4 O8 A:UNL304 1.7 43.6 0.9 O6 A:UNL304 2.0 79.1 0.3 O24 A:UNL304 2.0 58.2 0.5 O7 A:UNL304 2.0 48.4 0.8 O5 A:UNL304 2.0 70.2 0.9 O25 A:UNL304 2.1 61.7 1.0 W8 A:UNL304 3.0 103.8 0.5 W4 A:UNL304 3.1 45.3 0.6 W5 A:UNL304 3.3 79.2 0.4 W1 A:UNL304 3.3 45.2 0.6 O11 A:UNL304 3.6 61.4 0.0 O A:ALA106 3.7 30.4 1.0 O15 A:UNL304 3.9 99.8 1.0 O4 A:UNL304 3.9 54.9 1.0 O2 A:UNL304 4.0 59.9 0.0 O A:HOH510 4.1 44.7 1.0 C A:ALA106 4.1 32.4 1.0 O14 A:UNL304 4.2 65.8 1.0 O22 A:UNL304 4.4 95.0 0.0 O16 A:UNL304 4.5 136.4 0.0 CA A:SER107 4.5 31.4 1.0 CB A:ALA106 4.5 33.4 1.0 N A:SER107 4.5 28.1 1.0 O12 A:UNL304 4.5 49.8 0.3 OH A:TYR127 4.6 33.2 1.0 CB A:SER150 4.6 25.7 1.0 NE2 A:HIS130 4.6 47.8 1.0 CA A:GLY110 4.7 28.1 1.0 OG A:SER150 4.7 30.5 1.0 O1 A:UNL304 4.7 55.3 0.6 O26 A:UNL304 4.7 73.5 0.8 CD2 A:HIS130 4.7 53.3 1.0 N A:GLY110 4.8 27.8 1.0 O3 A:UNL304 4.9 66.1 0.0 CA A:ALA106 5.0 31.2 1.0

Tungsten binding site 7 out of 39 in the Molybdenum Storage Protein Loaded with Polyoxotungstates in the in Vivo-Like State


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 Loaded with Polyoxotungstates in the in Vivo-Like State within 5.0Å range: probe atom residue distance (Å) B Occ A:W304 b:63.5 occ:0.45 W3 A:UNL304 0.0 63.5 0.5 O10 A:UNL304 1.8 60.1 1.0 O9 A:UNL304 2.0 73.8 1.0 O4 A:UNL304 2.1 54.9 1.0 O3 A:UNL304 2.2 66.1 0.0 OE2 A:GLU129 2.2 79.1 1.0 O26 A:UNL304 2.3 73.5 0.8 W1 A:UNL304 3.2 45.2 0.6 CD A:GLU129 3.4 80.4 1.0 O5 A:UNL304 3.7 70.2 0.9 W4 A:UNL304 3.8 45.3 0.6 O1 A:UNL304 3.9 55.3 0.6 OE1 A:GLU129 4.1 86.0 1.0 CE1 A:HIS114 4.2 39.7 1.0 W6 A:UNL304 4.3 65.2 0.5 O18 A:UNL304 4.4 72.7 1.0 CE2 A:TYR127 4.4 31.4 1.0 CG A:GLU129 4.4 60.2 1.0 W7 A:UNL304 4.5 194.8 1.0 O20 A:UNL304 4.6 88.4 0.0 O2 A:UNL304 4.6 59.9 0.0 O33 A:UNL304 4.6 95.9 1.0 O11 A:UNL304 4.6 61.4 0.0 O30 A:UNL304 4.6 198.8 1.0 O12 A:UNL304 4.6 49.8 0.3 CB A:GLU129 4.7 46.0 1.0 NE2 A:HIS114 4.7 41.5 1.0 O24 A:UNL304 4.8 58.2 0.5 O27 A:UNL304 4.9 197.6 1.0

Tungsten binding site 8 out of 39 in the Molybdenum Storage Protein Loaded with Polyoxotungstates in the in Vivo-Like State


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 Loaded with Polyoxotungstates in the in Vivo-Like State within 5.0Å range: probe atom residue distance (Å) B Occ A:W304 b:45.3 occ:0.58 W4 A:UNL304 0.0 45.3 0.6 O11 A:UNL304 1.8 61.4 0.0 O12 A:UNL304 1.8 49.8 0.3 O7 A:UNL304 2.0 48.4 0.8 O4 A:UNL304 2.3 54.9 1.0 O5 A:UNL304 2.3 70.2 0.9 O26 A:UNL304 2.3 73.5 0.8 W2 A:UNL304 3.1 54.4 0.4 W6 A:UNL304 3.2 65.2 0.5 O25 A:UNL304 3.2 61.7 1.0 W5 A:UNL304 3.3 79.2 0.4 O24 A:UNL304 3.4 58.2 0.5 O19 A:UNL304 3.5 63.7 0.0 W1 A:UNL304 3.5 45.2 0.6 W3 A:UNL304 3.8 63.5 0.5 OH A:TYR127 3.9 33.2 1.0 O14 A:UNL304 4.1 65.8 1.0 CD2 A:HIS130 4.1 53.3 1.0 O17 A:UNL304 4.2 105.8 0.0 N A:HIS130 4.2 38.3 1.0 O8 A:UNL304 4.2 43.6 0.9 O20 A:UNL304 4.3 88.4 0.0 O A:HOH444 4.4 30.8 1.0 O3 A:UNL304 4.4 66.1 0.0 CG A:HIS130 4.4 50.9 1.0 OE2 A:GLU129 4.4 79.1 1.0 CA A:GLU129 4.4 36.8 1.0 O15 A:UNL304 4.5 99.8 1.0 CB A:GLU129 4.5 46.0 1.0 O18 A:UNL304 4.5 72.7 1.0 NE2 A:HIS130 4.6 47.8 1.0 CE2 A:TYR127 4.6 31.4 1.0 W8 A:UNL304 4.7 103.8 0.5 CZ A:TYR127 4.8 32.4 1.0 CB A:HIS130 4.8 45.3 1.0 O6 A:UNL304 4.8 79.1 0.3 C A:GLU129 4.9 35.2 1.0 O1 A:UNL304 4.9 55.3 0.6 O16 A:UNL304 5.0 136.4 0.0

Tungsten binding site 9 out of 39 in the Molybdenum Storage Protein Loaded with Polyoxotungstates in the in Vivo-Like State


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 Loaded with Polyoxotungstates in the in Vivo-Like State within 5.0Å range: probe atom residue distance (Å) B Occ A:W304 b:79.2 occ:0.43 W5 A:UNL304 0.0 79.2 0.4 O25 A:UNL304 1.4 61.7 1.0 O16 A:UNL304 1.7 136.4 0.0 O14 A:UNL304 1.7 65.8 1.0 O11 A:UNL304 2.0 61.4 0.0 O17 A:UNL304 2.0 105.8 0.0 O15 A:UNL304 2.2 99.8 1.0 W10 A:UNL304 2.6 172.7 1.0 W6 A:UNL304 2.9 65.2 0.5 O5 A:UNL304 3.0 70.2 0.9 O20 A:UNL304 3.1 88.4 0.0 W2 A:UNL304 3.3 54.4 0.4 W4 A:UNL304 3.3 45.3 0.6 O104 A:UNL304 3.5 238.8 1.0 O7 A:UNL304 3.6 48.4 0.8 O103 A:UNL304 3.6 139.1 1.0 W8 A:UNL304 3.7 103.8 0.5 O6 A:UNL304 3.8 79.1 0.3 O26 A:UNL304 3.9 73.5 0.8 O19 A:UNL304 3.9 63.7 0.0 O33 A:UNL304 3.9 95.9 1.0 O102 A:UNL304 4.0 248.9 1.0 NE2 A:HIS156 4.2 48.8 1.0 W9 A:UNL304 4.2 110.3 0.4 CD2 A:HIS130 4.3 53.3 1.0 O8 A:UNL304 4.4 43.6 0.9 O A:HOH510 4.4 44.7 1.0 O12 A:UNL304 4.6 49.8 0.3 O18 A:UNL304 4.6 72.7 1.0 O24 A:UNL304 4.8 58.2 0.5 O4 A:UNL304 4.9 54.9 1.0 CE1 A:HIS156 4.9 45.0 1.0

Tungsten binding site 10 out of 39 in the Molybdenum Storage Protein Loaded with Polyoxotungstates in the in Vivo-Like State


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 Loaded with Polyoxotungstates in the in Vivo-Like State within 5.0Å range: probe atom residue distance (Å) B Occ A:W304 b:65.2 occ:0.47 W6 A:UNL304 0.0 65.2 0.5 O20 A:UNL304 1.7 88.4 0.0 O18 A:UNL304 1.8 72.7 1.0 O19 A:UNL304 1.8 63.7 0.0 O17 A:UNL304 1.9 105.8 0.0 O11 A:UNL304 1.9 61.4 0.0 O26 A:UNL304 2.1 73.5 0.8 W5 A:UNL304 2.9 79.2 0.4 W4 A:UNL304 3.2 45.3 0.6 W10 A:UNL304 3.5 172.7 1.0 O33 A:UNL304 3.6 95.9 1.0 O15 A:UNL304 3.7 99.8 1.0 O14 A:UNL304 3.7 65.8 1.0 O5 A:UNL304 3.9 70.2 0.9 O16 A:UNL304 4.0 136.4 0.0 O12 A:UNL304 4.0 49.8 0.3 O25 A:UNL304 4.1 61.7 1.0 O103 A:UNL304 4.3 139.1 1.0 O9 A:UNL304 4.3 73.8 1.0 W3 A:UNL304 4.3 63.5 0.5 O4 A:UNL304 4.4 54.9 1.0 O102 A:UNL304 4.4 248.9 1.0 CB A:GLU129 4.6 46.0 1.0 CD A:PRO131 4.7 41.1 1.0 W9 A:UNL304 4.8 110.3 0.4 O7 A:UNL304 4.8 48.4 0.8 OE2 A:GLU129 4.8 79.1 1.0 O3 A:UNL304 4.9 66.1 0.0

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