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Molybdenum in PDB 1h9m: Two Crystal Structures of the Cytoplasmic Molybdate-Binding Protein Modg Suggest A Novel Cooperative Binding Mechanism and Provide Insights Into Ligand-Binding Specificity. Peg-Grown Form with Molybdate Bound

Protein crystallography data

The structure of Two Crystal Structures of the Cytoplasmic Molybdate-Binding Protein Modg Suggest A Novel Cooperative Binding Mechanism and Provide Insights Into Ligand-Binding Specificity. Peg-Grown Form with Molybdate Bound, PDB code: 1h9m was solved by L.Delarbre, C.E.M.Stevenson, D.J.White, L.A.Mitchenall, R.N.Pau, D.M.Lawson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.00 / 1.65
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 81.960, 81.960, 93.417, 90.00, 90.00, 120.00
R / Rfree (%) 19.1 / 22.6

Molybdenum Binding Sites:

The binding sites of Molybdenum atom in the Two Crystal Structures of the Cytoplasmic Molybdate-Binding Protein Modg Suggest A Novel Cooperative Binding Mechanism and Provide Insights Into Ligand-Binding Specificity. Peg-Grown Form with Molybdate Bound (pdb code 1h9m). This binding sites where shown within 5.0 Angstroms radius around Molybdenum atom.
In total 8 binding sites of Molybdenum where determined in the Two Crystal Structures of the Cytoplasmic Molybdate-Binding Protein Modg Suggest A Novel Cooperative Binding Mechanism and Provide Insights Into Ligand-Binding Specificity. Peg-Grown Form with Molybdate Bound, PDB code: 1h9m:
Jump to Molybdenum binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Molybdenum binding site 1 out of 8 in 1h9m

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Molybdenum binding site 1 out of 8 in the Two Crystal Structures of the Cytoplasmic Molybdate-Binding Protein Modg Suggest A Novel Cooperative Binding Mechanism and Provide Insights Into Ligand-Binding Specificity. Peg-Grown Form with Molybdate Bound


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 1 of Two Crystal Structures of the Cytoplasmic Molybdate-Binding Protein Modg Suggest A Novel Cooperative Binding Mechanism and Provide Insights Into Ligand-Binding Specificity. Peg-Grown Form with Molybdate Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mo1142

b:21.4
occ:0.33
MO A:MOO1142 0.0 21.4 0.3
O2 A:MOO1142 1.8 18.0 1.0
O1 A:MOO1142 1.8 17.3 0.3
ND2 A:ASN94 4.3 21.6 1.0
N A:ALA92 4.4 18.4 1.0
CG2 A:VAL93 4.4 19.0 1.0
N A:VAL93 4.4 20.7 1.0
N A:ASN94 4.4 16.6 1.0
CB A:ALA92 4.5 20.2 1.0
CB A:ASN94 4.5 16.6 1.0
CG A:ASN94 4.9 22.2 1.0
CA A:ALA92 5.0 17.9 1.0

Molybdenum binding site 2 out of 8 in 1h9m

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Molybdenum binding site 2 out of 8 in the Two Crystal Structures of the Cytoplasmic Molybdate-Binding Protein Modg Suggest A Novel Cooperative Binding Mechanism and Provide Insights Into Ligand-Binding Specificity. Peg-Grown Form with Molybdate Bound


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 2 of Two Crystal Structures of the Cytoplasmic Molybdate-Binding Protein Modg Suggest A Novel Cooperative Binding Mechanism and Provide Insights Into Ligand-Binding Specificity. Peg-Grown Form with Molybdate Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mo1143

b:24.1
occ:0.33
MO A:MOO1143 0.0 24.1 0.3
O2 A:MOO1143 1.8 18.6 1.0
O1 A:MOO1143 1.9 18.7 0.3
CG2 A:VAL21 4.2 16.9 1.0
N A:VAL21 4.3 15.9 1.0
N A:ASN22 4.3 15.2 1.0
ND2 A:ASN22 4.4 23.6 1.0
N A:ALA20 4.5 19.4 1.0
CB A:ASN22 4.5 15.7 1.0
CB A:ALA20 4.7 19.3 1.0

Molybdenum binding site 3 out of 8 in 1h9m

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Molybdenum binding site 3 out of 8 in the Two Crystal Structures of the Cytoplasmic Molybdate-Binding Protein Modg Suggest A Novel Cooperative Binding Mechanism and Provide Insights Into Ligand-Binding Specificity. Peg-Grown Form with Molybdate Bound


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 3 of Two Crystal Structures of the Cytoplasmic Molybdate-Binding Protein Modg Suggest A Novel Cooperative Binding Mechanism and Provide Insights Into Ligand-Binding Specificity. Peg-Grown Form with Molybdate Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mo1144

b:26.5
occ:1.00
MO A:MOO1144 0.0 26.5 1.0
O3 A:MOO1144 1.8 20.4 1.0
O1 A:MOO1144 1.8 20.6 1.0
O2 A:MOO1144 1.8 19.1 1.0
O4 A:MOO1144 1.8 20.1 1.0
N A:THR112 4.1 18.2 1.0
CA A:VAL111 4.3 17.4 1.0
CB A:VAL111 4.4 19.9 1.0
CG2 A:THR112 4.4 19.3 1.0
OG1 A:THR112 4.4 22.0 1.0
O A:HOH2023 4.5 26.6 1.0
CG1 A:VAL111 4.7 22.3 1.0
C A:VAL111 4.7 19.6 1.0
CB A:THR112 4.9 19.2 1.0

Molybdenum binding site 4 out of 8 in 1h9m

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Molybdenum binding site 4 out of 8 in the Two Crystal Structures of the Cytoplasmic Molybdate-Binding Protein Modg Suggest A Novel Cooperative Binding Mechanism and Provide Insights Into Ligand-Binding Specificity. Peg-Grown Form with Molybdate Bound


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 4 of Two Crystal Structures of the Cytoplasmic Molybdate-Binding Protein Modg Suggest A Novel Cooperative Binding Mechanism and Provide Insights Into Ligand-Binding Specificity. Peg-Grown Form with Molybdate Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mo1145

b:21.5
occ:1.00
MO A:MOO1145 0.0 21.5 1.0
O1 A:MOO1145 1.7 14.5 1.0
O2 A:MOO1145 1.8 16.1 1.0
O4 A:MOO1145 1.8 15.5 1.0
O3 A:MOO1145 1.8 17.7 1.0
N A:THR40 3.9 14.0 1.0
CA A:VAL39 4.3 15.4 1.0
CB A:VAL39 4.3 14.2 1.0
OG1 A:THR40 4.3 17.5 1.0
OG A:SER43 4.3 20.6 1.0
CG2 A:THR40 4.3 17.9 1.0
CG1 A:VAL39 4.5 18.0 1.0
O A:HOH2036 4.5 21.8 1.0
C A:VAL39 4.6 18.4 1.0
CB A:SER43 4.8 15.4 1.0
CB A:THR40 4.8 14.4 1.0
CA A:THR40 5.0 14.8 1.0

Molybdenum binding site 5 out of 8 in 1h9m

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Molybdenum binding site 5 out of 8 in the Two Crystal Structures of the Cytoplasmic Molybdate-Binding Protein Modg Suggest A Novel Cooperative Binding Mechanism and Provide Insights Into Ligand-Binding Specificity. Peg-Grown Form with Molybdate Bound


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 5 of Two Crystal Structures of the Cytoplasmic Molybdate-Binding Protein Modg Suggest A Novel Cooperative Binding Mechanism and Provide Insights Into Ligand-Binding Specificity. Peg-Grown Form with Molybdate Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mo1142

b:54.6
occ:0.33
MO B:MOO1142 0.0 54.6 0.3
O2 B:MOO1142 1.8 40.4 1.0
O1 B:MOO1142 1.9 46.5 0.3
CG2 B:VAL21 4.0 17.6 1.0
ND2 B:ASN22 4.2 20.1 1.0
N B:VAL21 4.3 16.0 1.0
N B:ASN22 4.3 14.2 1.0
CB B:ASN22 4.4 16.2 1.0
N B:ALA20 4.4 20.6 1.0
CB B:ALA20 4.7 23.2 1.0
CG B:ASN22 4.8 21.1 1.0
CA B:ASN22 5.0 17.2 1.0

Molybdenum binding site 6 out of 8 in 1h9m

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Molybdenum binding site 6 out of 8 in the Two Crystal Structures of the Cytoplasmic Molybdate-Binding Protein Modg Suggest A Novel Cooperative Binding Mechanism and Provide Insights Into Ligand-Binding Specificity. Peg-Grown Form with Molybdate Bound


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 6 of Two Crystal Structures of the Cytoplasmic Molybdate-Binding Protein Modg Suggest A Novel Cooperative Binding Mechanism and Provide Insights Into Ligand-Binding Specificity. Peg-Grown Form with Molybdate Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mo1143

b:37.5
occ:0.33
MO B:MOO1143 0.0 37.5 0.3
O1 B:MOO1143 1.7 12.2 0.3
O2 B:MOO1143 1.8 14.3 1.0
N B:VAL93 4.2 19.3 1.0
CG2 B:VAL93 4.3 18.2 1.0
ND2 B:ASN94 4.3 21.3 1.0
N B:ALA92 4.4 17.6 1.0
CB B:ALA92 4.4 19.6 1.0
N B:ASN94 4.5 15.9 1.0
CB B:ASN94 4.6 17.8 1.0
CA B:ALA92 4.9 19.1 1.0
CG B:ASN94 5.0 23.2 1.0

Molybdenum binding site 7 out of 8 in 1h9m

Go back to Molybdenum Binding Sites List in 1h9m
Molybdenum binding site 7 out of 8 in the Two Crystal Structures of the Cytoplasmic Molybdate-Binding Protein Modg Suggest A Novel Cooperative Binding Mechanism and Provide Insights Into Ligand-Binding Specificity. Peg-Grown Form with Molybdate Bound


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 7 of Two Crystal Structures of the Cytoplasmic Molybdate-Binding Protein Modg Suggest A Novel Cooperative Binding Mechanism and Provide Insights Into Ligand-Binding Specificity. Peg-Grown Form with Molybdate Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mo1144

b:27.4
occ:1.00
MO B:MOO1144 0.0 27.4 1.0
O1 B:MOO1144 1.8 22.4 1.0
O4 B:MOO1144 1.8 21.6 1.0
O2 B:MOO1144 1.8 20.4 1.0
O3 B:MOO1144 1.8 19.2 1.0
N B:THR112 4.1 19.1 1.0
CG2 B:THR112 4.3 19.9 1.0
CA B:VAL111 4.3 18.1 1.0
CB B:VAL111 4.4 20.6 1.0
OG1 B:THR112 4.4 23.6 1.0
O B:HOH2032 4.5 29.7 1.0
CG1 B:VAL111 4.7 23.1 1.0
C B:VAL111 4.8 19.4 1.0
CB B:THR112 4.9 21.5 1.0

Molybdenum binding site 8 out of 8 in 1h9m

Go back to Molybdenum Binding Sites List in 1h9m
Molybdenum binding site 8 out of 8 in the Two Crystal Structures of the Cytoplasmic Molybdate-Binding Protein Modg Suggest A Novel Cooperative Binding Mechanism and Provide Insights Into Ligand-Binding Specificity. Peg-Grown Form with Molybdate Bound


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 8 of Two Crystal Structures of the Cytoplasmic Molybdate-Binding Protein Modg Suggest A Novel Cooperative Binding Mechanism and Provide Insights Into Ligand-Binding Specificity. Peg-Grown Form with Molybdate Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mo1145

b:21.7
occ:1.00
MO B:MOO1145 0.0 21.7 1.0
O4 B:MOO1145 1.7 14.5 1.0
O1 B:MOO1145 1.8 15.6 1.0
O2 B:MOO1145 1.8 18.8 1.0
O3 B:MOO1145 1.8 16.3 1.0
N B:THR40 3.9 13.7 1.0
CB B:VAL39 4.3 14.4 1.0
CA B:VAL39 4.3 15.6 1.0
OG1 B:THR40 4.3 18.9 1.0
CG2 B:THR40 4.4 16.9 1.0
OG B:SER43 4.4 20.5 1.0
O B:HOH2043 4.5 22.4 1.0
CG1 B:VAL39 4.6 16.5 1.0
C B:VAL39 4.6 16.8 1.0
CB B:THR40 4.8 14.0 1.0
CB B:SER43 4.8 17.2 1.0
CA B:THR40 5.0 13.8 1.0

Reference:

L.Delarbre, C.E.M.Stevenson, D.J.White, L.A.Mitchenall, R.N.Pau, D.M.Lawson. Two Crystal Structures of the Cytoplasmic Molybdate-Binding Protein Modg Suggest A Novel Cooperative Binding Mechanism and Provide Insights Into Ligand-Binding Specificity J.Mol.Biol. V. 308 1063 2001.
ISSN: ISSN 0022-2836
PubMed: 11352591
DOI: 10.1006/JMBI.2001.4636
Page generated: Wed Sep 23 13:27:15 2020
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