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Molybdenum in PDB 1gun: Mopii From Clostridium Pasteurianum Complexed with Molybdate (Partial)

Protein crystallography data

The structure of Mopii From Clostridium Pasteurianum Complexed with Molybdate (Partial), PDB code: 1gun was solved by A.W.Schuettelkopf, J.A.Harrison, W.N.Hunter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.61 / 1.83
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 56.810, 78.380, 95.240, 90.00, 90.01, 90.00
R / Rfree (%) 21.5 / 24.8

Other elements in 1gun:

The structure of Mopii From Clostridium Pasteurianum Complexed with Molybdate (Partial) also contains other interesting chemical elements:

Calcium (Ca) 1 atom

Molybdenum Binding Sites:

The binding sites of Molybdenum atom in the Mopii From Clostridium Pasteurianum Complexed with Molybdate (Partial) (pdb code 1gun). This binding sites where shown within 5.0 Angstroms radius around Molybdenum atom.
In total 8 binding sites of Molybdenum where determined in the Mopii From Clostridium Pasteurianum Complexed with Molybdate (Partial), PDB code: 1gun:
Jump to Molybdenum binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Molybdenum binding site 1 out of 8 in 1gun

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Molybdenum binding site 1 out of 8 in the Mopii From Clostridium Pasteurianum Complexed with Molybdate (Partial)


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 1 of Mopii From Clostridium Pasteurianum Complexed with Molybdate (Partial) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mo1069

b:30.5
occ:0.25
 MO A:MOO1069 0.0 30.5 0.2
O1 A:MOO1069 1.8 27.0 1.0
O4 A:MOO1069 1.8 25.0 1.0
O2 A:MOO1069 1.8 32.2 1.0
O3 A:MOO1069 1.8 16.7 1.0
N A:SER40 3.8 16.9 1.0
CB A:ILE39 4.1 17.8 1.0
CG2 A:ILE39 4.3 20.1 1.0
CA A:ILE39 4.3 17.5 1.0
OG A:SER40 4.3 21.0 1.0
C A:ILE39 4.6 17.1 1.0
CB A:SER40 4.6 19.9 1.0
OG A:SER43 4.6 29.7 1.0
CA A:SER40 4.8 18.0 1.0

Molybdenum binding site 2 out of 8 in 1gun

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Molybdenum binding site 2 out of 8 in the Mopii From Clostridium Pasteurianum Complexed with Molybdate (Partial)


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 2 of Mopii From Clostridium Pasteurianum Complexed with Molybdate (Partial) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mo1070

b:31.9
occ:0.50
 MO A:MOO1070 0.0 31.9 0.5
O2 A:MOO1070 1.8 23.7 1.0
O1 A:MOO1070 1.8 30.3 1.0
O3 A:MOO1070 1.8 25.5 1.0
O4 A:MOO1070 1.8 10.5 1.0
OG1 B:THR22 3.8 20.8 1.0
OG1 C:THR22 3.8 20.9 1.0
OG1 A:THR22 3.9 17.8 1.0
N A:VAL20 4.3 17.3 1.0
N B:VAL20 4.3 18.0 1.0
N C:VAL20 4.4 21.3 1.0
N C:VAL21 4.4 20.4 1.0
N A:VAL21 4.4 17.9 1.0
N B:VAL21 4.5 19.0 1.0
N C:THR22 4.6 18.8 1.0
N B:THR22 4.6 18.3 1.0
N A:THR22 4.6 17.2 1.0
CB C:VAL21 4.8 19.3 1.0
CB A:VAL20 4.8 17.6 1.0
CB A:VAL21 4.9 19.3 1.0
CA B:GLY19 4.9 20.9 1.0
CB C:VAL20 4.9 21.6 1.0
CG2 C:THR22 4.9 18.9 1.0
CB B:THR22 5.0 16.6 1.0
CB C:THR22 5.0 20.3 1.0
CA A:VAL20 5.0 18.0 1.0
CG2 B:THR22 5.0 17.6 1.0

Molybdenum binding site 3 out of 8 in 1gun

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Molybdenum binding site 3 out of 8 in the Mopii From Clostridium Pasteurianum Complexed with Molybdate (Partial)


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 3 of Mopii From Clostridium Pasteurianum Complexed with Molybdate (Partial) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mo1069

b:29.7
occ:0.25
 MO B:MOO1069 0.0 29.7 0.2
O2 B:MOO1069 1.8 19.2 1.0
O3 B:MOO1069 1.8 24.4 1.0
O4 B:MOO1069 1.8 28.5 1.0
O1 B:MOO1069 1.8 17.3 1.0
N B:SER40 3.9 17.6 1.0
CB B:ILE39 4.2 18.3 1.0
CA B:ILE39 4.3 18.5 1.0
OG B:SER40 4.4 23.2 1.0
CG2 B:ILE39 4.5 20.1 1.0
C B:ILE39 4.6 17.4 1.0
CB B:SER40 4.6 20.1 1.0
OG B:SER43 4.7 25.0 1.0
CA B:SER40 4.8 19.5 1.0

Molybdenum binding site 4 out of 8 in 1gun

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Molybdenum binding site 4 out of 8 in the Mopii From Clostridium Pasteurianum Complexed with Molybdate (Partial)


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 4 of Mopii From Clostridium Pasteurianum Complexed with Molybdate (Partial) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mo1069

b:33.4
occ:0.25
 MO C:MOO1069 0.0 33.4 0.2
O4 C:MOO1069 1.8 24.0 1.0
O2 C:MOO1069 1.8 29.2 1.0
O3 C:MOO1069 1.8 31.2 1.0
O1 C:MOO1069 1.8 17.8 1.0
N C:SER40 3.8 19.4 1.0
CB C:ILE39 4.2 20.4 1.0
CA C:ILE39 4.2 20.3 1.0
OG C:SER40 4.3 24.6 1.0
CG2 C:ILE39 4.5 22.7 1.0
CB C:SER40 4.5 21.3 1.0
C C:ILE39 4.5 19.0 1.0
OG C:SER43 4.6 34.2 1.0
CA C:SER40 4.7 21.5 1.0

Molybdenum binding site 5 out of 8 in 1gun

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Molybdenum binding site 5 out of 8 in the Mopii From Clostridium Pasteurianum Complexed with Molybdate (Partial)


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 5 of Mopii From Clostridium Pasteurianum Complexed with Molybdate (Partial) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mo1070

b:31.9
occ:0.50
 MO D:MOO1070 0.0 31.9 0.5
O1 D:MOO1070 1.7 21.9 1.0
O3 D:MOO1070 1.8 24.2 1.0
O4 D:MOO1070 1.8 31.0 1.0
O2 D:MOO1070 1.8 10.5 1.0
OG1 E:THR22 3.8 19.8 1.0
OG1 D:THR22 3.9 17.3 1.0
OG1 F:THR22 4.0 20.5 1.0
N E:VAL20 4.2 20.4 1.0
N D:VAL20 4.2 18.3 1.0
N E:VAL21 4.3 18.9 1.0
N D:VAL21 4.4 18.0 1.0
N F:VAL21 4.4 18.5 1.0
N F:VAL20 4.4 20.2 1.0
N E:THR22 4.5 17.9 1.0
N D:THR22 4.6 16.4 1.0
N F:THR22 4.7 18.7 1.0
CA E:GLY19 4.9 22.0 1.0
CB E:VAL20 4.9 20.6 1.0
CB F:VAL21 4.9 17.9 1.0
CB D:VAL20 4.9 19.1 1.0
CA D:GLY19 4.9 20.4 1.0
CB F:VAL20 4.9 20.4 1.0
CB D:VAL21 4.9 18.9 1.0
CB E:VAL21 4.9 19.1 1.0
CA E:VAL20 4.9 20.0 1.0
C E:GLY19 5.0 21.0 1.0

Molybdenum binding site 6 out of 8 in 1gun

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Molybdenum binding site 6 out of 8 in the Mopii From Clostridium Pasteurianum Complexed with Molybdate (Partial)


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 6 of Mopii From Clostridium Pasteurianum Complexed with Molybdate (Partial) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mo1071

b:30.2
occ:0.25
 MO D:MOO1071 0.0 30.2 0.2
O4 D:MOO1071 1.8 25.4 1.0
O1 D:MOO1071 1.8 26.2 1.0
O2 D:MOO1071 1.8 32.2 1.0
O3 D:MOO1071 1.8 16.2 1.0
N D:SER40 3.7 16.6 1.0
CB D:ILE39 4.1 17.3 1.0
CA D:ILE39 4.3 16.8 1.0
OG D:SER40 4.3 21.9 1.0
CG2 D:ILE39 4.4 18.9 1.0
CB D:SER40 4.5 19.8 1.0
C D:ILE39 4.5 17.1 1.0
OG D:SER43 4.5 28.6 1.0
CA D:SER40 4.7 18.4 1.0

Molybdenum binding site 7 out of 8 in 1gun

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Molybdenum binding site 7 out of 8 in the Mopii From Clostridium Pasteurianum Complexed with Molybdate (Partial)


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 7 of Mopii From Clostridium Pasteurianum Complexed with Molybdate (Partial) within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mo1069

b:28.7
occ:0.25
 MO E:MOO1069 0.0 28.7 0.2
O1 E:MOO1069 1.8 18.5 1.0
O2 E:MOO1069 1.8 23.8 1.0
O4 E:MOO1069 1.8 28.3 1.0
O3 E:MOO1069 1.8 17.3 1.0
N E:SER40 3.9 18.3 1.0
CB E:ILE39 4.2 18.5 1.0
OG E:SER40 4.3 23.0 1.0
CA E:ILE39 4.3 18.5 1.0
CB E:SER40 4.5 19.7 1.0
CG2 E:ILE39 4.5 20.7 1.0
C E:ILE39 4.6 18.2 1.0
OG E:SER43 4.6 24.9 1.0
CA E:SER40 4.8 19.4 1.0

Molybdenum binding site 8 out of 8 in 1gun

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Molybdenum binding site 8 out of 8 in the Mopii From Clostridium Pasteurianum Complexed with Molybdate (Partial)


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 8 of Mopii From Clostridium Pasteurianum Complexed with Molybdate (Partial) within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Mo1069

b:32.4
occ:0.25
 MO F:MOO1069 0.0 32.4 0.2
O4 F:MOO1069 1.8 26.3 1.0
O1 F:MOO1069 1.8 27.9 1.0
O2 F:MOO1069 1.8 30.5 1.0
O3 F:MOO1069 1.8 19.5 1.0
N F:SER40 3.8 18.7 1.0
CB F:ILE39 4.3 19.4 1.0
CA F:ILE39 4.3 19.5 1.0
OG F:SER40 4.3 23.8 1.0
CG2 F:ILE39 4.5 22.6 1.0
CB F:SER40 4.5 20.6 1.0
C F:ILE39 4.6 18.1 1.0
OG F:SER43 4.6 35.9 1.0
CA F:SER40 4.8 20.6 1.0

Reference:

A.W.Schuettelkopf, J.A.Harrison, D.H.Boxer, W.N.Hunter. Passive Acquisition of Ligand By the Mopii Molbindin From Clostridium Pasteurianum: Structures of Apo and Oxyanion-Bound Forms J.Biol.Chem. V. 277 15013 2002.
ISSN: ISSN 0021-9258
PubMed: 11836258
DOI: 10.1074/JBC.M201005200
Page generated: Sun Oct 6 15:20:54 2024

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