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Molybdenum in PDB 6h6w: Molybdenum Storage Protein- H156A

Protein crystallography data

The structure of Molybdenum Storage Protein- H156A, PDB code: 6h6w was solved by U.Ermler, S.Bruenle, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.48 / 1.90
Space group P 63 2 2
Cell size a, b, c (Å), α, β, γ (°) 114.270, 114.270, 234.140, 90.00, 90.00, 120.00
R / Rfree (%) 17.6 / 20.3

Other elements in 6h6w:

The structure of Molybdenum Storage Protein- H156A also contains other interesting chemical elements:

Magnesium (Mg) 1 atom

Molybdenum Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 21;

Binding sites:

The binding sites of Molybdenum atom in the Molybdenum Storage Protein- H156A (pdb code 6h6w). This binding sites where shown within 5.0 Angstroms radius around Molybdenum atom.
In total 21 binding sites of Molybdenum where determined in the Molybdenum Storage Protein- H156A, PDB code: 6h6w:
Jump to Molybdenum binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Molybdenum binding site 1 out of 21 in 6h6w

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Molybdenum binding site 1 out of 21 in the Molybdenum Storage Protein- H156A


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 1 of Molybdenum Storage Protein- H156A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mo302

b:38.2
occ:0.70
MO1 B:FUQ302 0.0 38.2 0.7
O11 B:FUQ302 1.7 39.6 0.0
O25 B:FUQ302 1.7 40.1 0.0
O15 B:FUQ302 1.8 40.4 0.0
O13 B:FUQ302 1.9 41.2 0.0
O14 B:FUQ302 1.9 45.8 0.0
O12 B:FUQ302 2.0 39.6 0.0
O24 B:FUQ302 3.2 46.6 0.0
MO2 B:FUQ302 3.3 42.3 0.7
MO4 B:FUQ302 3.4 42.5 0.7
O22 B:FUQ302 3.5 42.0 0.0
O35 B:FUQ302 3.7 58.2 0.1
O43 B:FUQ302 3.7 46.5 0.0
O45 B:FUQ302 3.9 55.2 0.0
O41 B:FUQ302 4.0 48.7 0.0
NE2 A:HIS157 4.2 38.0 1.0
O B:HOH408 4.3 32.5 1.0
CG A:PRO103 4.3 26.9 1.0
O23 B:FUQ302 4.3 42.1 0.0
CB A:PRO103 4.4 28.4 1.0
O44 B:FUQ302 4.4 46.8 0.0
O55 B:FUQ302 4.6 60.8 0.0
O A:HOH476 4.6 47.4 1.0
CD2 A:HIS157 5.0 37.2 1.0

Molybdenum binding site 2 out of 21 in 6h6w

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Molybdenum binding site 2 out of 21 in the Molybdenum Storage Protein- H156A


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 2 of Molybdenum Storage Protein- H156A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mo302

b:42.3
occ:0.70
MO2 B:FUQ302 0.0 42.3 0.7
O22 B:FUQ302 1.7 42.0 0.0
O25 B:FUQ302 1.7 40.1 0.0
O35 B:FUQ302 1.8 58.2 0.1
O23 B:FUQ302 1.9 42.1 0.0
O24 B:FUQ302 1.9 46.6 0.0
O21 B:FUQ302 1.9 41.9 0.0
O11 B:FUQ302 3.2 39.6 0.0
MO1 B:FUQ302 3.3 38.2 0.7
MO3 B:FUQ302 3.4 63.3 0.7
O34 B:FUQ302 3.5 79.7 0.0
O32 B:FUQ302 3.6 81.8 0.0
O14 B:FUQ302 3.7 45.8 0.0
O55 B:FUQ302 3.8 60.8 0.0
CD2 A:HIS157 4.0 37.2 1.0
O15 B:FUQ302 4.2 40.4 0.0
NE2 A:HIS157 4.2 38.0 1.0
CB A:ALA156 4.3 32.1 1.0
O13 B:FUQ302 4.3 41.2 0.0
O33 B:FUQ302 4.4 82.8 0.0
CB A:PRO103 4.4 28.4 1.0
CG A:PRO103 4.6 26.9 1.0
O B:ALA129 4.7 92.1 1.0
C B:ALA129 4.7 92.3 1.0
CB B:ALA129 4.8 87.1 1.0
O45 B:FUQ302 4.8 55.2 0.0
N B:GLY130 4.9 89.8 1.0

Molybdenum binding site 3 out of 21 in 6h6w

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Molybdenum binding site 3 out of 21 in the Molybdenum Storage Protein- H156A


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 3 of Molybdenum Storage Protein- H156A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mo302

b:63.3
occ:0.70
MO3 B:FUQ302 0.0 63.3 0.7
O34 B:FUQ302 1.5 79.7 0.0
O31 B:FUQ302 1.8 82.2 0.0
O32 B:FUQ302 1.8 81.8 0.0
O33 B:FUQ302 1.9 82.8 0.0
O35 B:FUQ302 1.9 58.2 0.1
O55 B:FUQ302 1.9 60.8 0.0
MO2 B:FUQ302 3.4 42.3 0.7
O52 B:FUQ302 3.5 60.2 0.0
MO5 B:FUQ302 3.6 56.6 0.7
O21 B:FUQ302 3.6 41.9 0.0
O54 B:FUQ302 3.9 60.4 0.0
O25 B:FUQ302 4.0 40.1 0.0
O45 B:FUQ302 4.1 55.2 0.0
N B:ALA129 4.2 87.3 1.0
N B:GLY130 4.2 89.8 1.0
O24 B:FUQ302 4.2 46.6 0.0
CA B:GLY128 4.2 90.3 1.0
O53 B:FUQ302 4.3 60.3 0.0
O23 B:FUQ302 4.3 42.1 0.0
N B:LEU131 4.4 79.6 1.0
C B:GLY128 4.5 87.2 1.0
CA B:GLY130 4.6 90.3 1.0
C B:ALA129 4.7 92.3 1.0
C B:GLY130 4.9 83.7 1.0
CA B:ALA129 4.9 88.8 1.0

Molybdenum binding site 4 out of 21 in 6h6w

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Molybdenum binding site 4 out of 21 in the Molybdenum Storage Protein- H156A


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 4 of Molybdenum Storage Protein- H156A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mo302

b:42.5
occ:0.70
MO4 B:FUQ302 0.0 42.5 0.7
O45 B:FUQ302 1.8 55.2 0.0
O15 B:FUQ302 1.8 40.4 0.0
O42 B:FUQ302 1.8 52.1 0.0
O41 B:FUQ302 1.9 48.7 0.0
O44 B:FUQ302 1.9 46.8 0.0
O43 B:FUQ302 1.9 46.5 0.0
O14 B:FUQ302 3.4 45.8 0.0
MO5 B:FUQ302 3.4 56.6 0.7
MO1 B:FUQ302 3.4 38.2 0.7
O53 B:FUQ302 3.5 60.3 0.0
O51 B:FUQ302 3.7 59.5 0.0
O12 B:FUQ302 3.7 39.6 0.0
O55 B:FUQ302 3.8 60.8 0.0
O54 B:FUQ302 3.9 60.4 0.0
O25 B:FUQ302 4.1 40.1 0.0
O B:HOH419 4.4 47.9 1.0
O13 B:FUQ302 4.5 41.2 0.0
O35 B:FUQ302 4.6 58.2 0.1
O11 B:FUQ302 5.0 39.6 0.0

Molybdenum binding site 5 out of 21 in 6h6w

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Molybdenum binding site 5 out of 21 in the Molybdenum Storage Protein- H156A


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 5 of Molybdenum Storage Protein- H156A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mo302

b:56.6
occ:0.70
MO5 B:FUQ302 0.0 56.6 0.7
O45 B:FUQ302 1.8 55.2 0.0
O52 B:FUQ302 1.8 60.2 0.0
O55 B:FUQ302 1.8 60.8 0.0
O54 B:FUQ302 1.9 60.4 0.0
O53 B:FUQ302 1.9 60.3 0.0
O51 B:FUQ302 1.9 59.5 0.0
O42 B:FUQ302 3.2 52.1 0.0
MO4 B:FUQ302 3.4 42.5 0.7
MO3 B:FUQ302 3.6 63.3 0.7
O43 B:FUQ302 3.6 46.5 0.0
O31 B:FUQ302 3.7 82.2 0.0
CB B:SER132 3.8 94.9 1.0
O33 B:FUQ302 3.8 82.8 0.0
O35 B:FUQ302 3.9 58.2 0.1
O34 B:FUQ302 4.0 79.7 0.0
OG B:SER132 4.1 89.8 1.0
O44 B:FUQ302 4.1 46.8 0.0
O15 B:FUQ302 4.2 40.4 0.0
CA B:SER132 4.3 92.3 1.0
N B:SER132 4.3 89.0 1.0
C B:LEU131 4.8 76.9 1.0
O25 B:FUQ302 4.9 40.1 0.0

Molybdenum binding site 6 out of 21 in 6h6w

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Molybdenum binding site 6 out of 21 in the Molybdenum Storage Protein- H156A


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 6 of Molybdenum Storage Protein- H156A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mo303

b:62.3
occ:0.70
MO1 B:FUQ303 0.0 62.3 0.7
O15 B:FUQ303 1.8 76.7 0.0
O25 B:FUQ303 1.9 69.5 0.0
O14 B:FUQ303 1.9 78.8 0.0
O11 B:FUQ303 1.9 79.0 0.0
O12 B:FUQ303 2.0 78.9 0.0
O13 B:FUQ303 2.1 78.9 0.0
O24 B:FUQ303 2.8 69.9 0.0
MO4 B:FUQ303 3.5 71.0 0.7
MO2 B:FUQ303 3.6 57.7 0.7
O41 B:FUQ303 3.6 87.0 0.0
O44 B:FUQ303 3.6 86.9 0.0
O22 B:FUQ303 3.7 74.2 0.0
O35 B:FUQ303 4.0 65.4 0.0
O43 B:FUQ303 4.0 86.5 0.0
OG B:SER104 4.0 27.9 0.5
OD2 B:ASP108 4.1 37.5 1.0
O45 B:FUQ303 4.2 73.2 0.0
CB B:SER104 4.3 30.4 0.5
CB B:SER104 4.4 30.3 0.5
OE1 B:GLN101 4.6 49.7 1.0
O23 B:FUQ303 4.9 74.2 0.0
O21 B:FUQ303 4.9 73.3 0.0
O B:GLN101 4.9 25.1 1.0
CG B:GLN101 4.9 45.3 1.0
OG B:SER104 5.0 34.3 0.5

Molybdenum binding site 7 out of 21 in 6h6w

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Molybdenum binding site 7 out of 21 in the Molybdenum Storage Protein- H156A


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 7 of Molybdenum Storage Protein- H156A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mo303

b:57.7
occ:0.70
MO2 B:FUQ303 0.0 57.7 0.7
O24 B:FUQ303 1.7 69.9 0.0
O23 B:FUQ303 1.7 74.2 0.0
O35 B:FUQ303 1.7 65.4 0.0
O22 B:FUQ303 1.8 74.2 0.0
O25 B:FUQ303 2.0 69.5 0.0
O21 B:FUQ303 2.0 73.3 0.0
O32 B:FUQ303 2.7 63.9 0.0
MO3 B:FUQ303 3.1 57.2 0.7
O33 B:FUQ303 3.5 63.9 0.0
O34 B:FUQ303 3.5 63.8 0.0
MO1 B:FUQ303 3.6 62.3 0.7
OG B:SER104 3.7 27.9 0.5
O14 B:FUQ303 3.8 78.8 0.0
O11 B:FUQ303 3.8 79.0 0.0
O55 B:FUQ303 3.9 64.4 0.0
O15 B:FUQ303 4.0 76.7 0.0
O B:HOH434 4.0 39.2 1.0
CA B:PRO151 4.1 26.3 1.0
OG B:SER104 4.2 34.3 0.5
CB B:SER104 4.4 30.4 0.5
CB B:SER104 4.4 30.3 0.5
O B:HOH453 4.5 46.1 1.0
CG B:LYS153 4.6 48.9 1.0
CE B:LYS153 4.6 60.6 1.0
CB B:PRO151 4.6 29.5 1.0
O B:HOH484 4.7 36.1 1.0
NZ B:LYS153 4.7 65.8 1.0
O B:PRO150 4.7 25.6 1.0
C B:PRO151 4.7 24.8 1.0
O13 B:FUQ303 4.7 78.9 0.0
O B:PRO151 4.8 27.1 1.0
O31 B:FUQ303 4.8 63.8 0.0
CD B:LYS153 5.0 51.8 1.0
O44 B:FUQ303 5.0 86.9 0.0

Molybdenum binding site 8 out of 21 in 6h6w

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Molybdenum binding site 8 out of 21 in the Molybdenum Storage Protein- H156A


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 8 of Molybdenum Storage Protein- H156A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mo303

b:57.2
occ:0.70
MO3 B:FUQ303 0.0 57.2 0.7
O35 B:FUQ303 1.6 65.4 0.0
O34 B:FUQ303 1.7 63.8 0.0
O55 B:FUQ303 1.7 64.4 0.0
O32 B:FUQ303 1.8 63.9 0.0
O31 B:FUQ303 1.9 63.8 0.0
O33 B:FUQ303 1.9 63.9 0.0
MO2 B:FUQ303 3.1 57.7 0.7
MO5 B:FUQ303 3.4 60.8 0.7
O52 B:FUQ303 3.5 71.7 0.0
O23 B:FUQ303 3.5 74.2 0.0
O24 B:FUQ303 3.9 69.9 0.0
O21 B:FUQ303 3.9 73.3 0.0
O25 B:FUQ303 4.0 69.5 0.0
O54 B:FUQ303 4.1 71.9 0.0
O53 B:FUQ303 4.1 72.0 0.0
O45 B:FUQ303 4.2 73.2 0.0
N B:ALA129 4.2 87.3 1.0
CB B:PRO151 4.2 29.5 1.0
C B:GLY128 4.3 87.2 1.0
CA B:GLY128 4.4 90.3 1.0
O B:HOH453 4.5 46.1 1.0
O B:HOH484 4.6 36.1 1.0
N B:GLY128 4.6 80.8 1.0
O15 B:FUQ303 4.7 76.7 0.0
CA B:PRO151 4.8 26.3 1.0
O44 B:FUQ303 4.9 86.9 0.0
O B:GLY128 4.9 70.9 1.0
O22 B:FUQ303 4.9 74.2 0.0
CA B:ALA129 4.9 88.8 1.0

Molybdenum binding site 9 out of 21 in 6h6w

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Molybdenum binding site 9 out of 21 in the Molybdenum Storage Protein- H156A


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 9 of Molybdenum Storage Protein- H156A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mo303

b:71.0
occ:0.70
MO4 B:FUQ303 0.0 71.0 0.7
O45 B:FUQ303 1.8 73.2 0.0
O15 B:FUQ303 1.8 76.7 0.0
O42 B:FUQ303 1.8 87.1 0.0
O41 B:FUQ303 1.9 87.0 0.0
O43 B:FUQ303 1.9 86.5 0.0
O44 B:FUQ303 1.9 86.9 0.0
MO1 B:FUQ303 3.5 62.3 0.7
O54 B:FUQ303 3.5 71.9 0.0
O13 B:FUQ303 3.6 78.9 0.0
MO5 B:FUQ303 3.6 60.8 0.7
O12 B:FUQ303 3.7 78.9 0.0
O25 B:FUQ303 4.0 69.5 0.0
O51 B:FUQ303 4.0 71.4 0.0
O55 B:FUQ303 4.2 64.4 0.0
O14 B:FUQ303 4.2 78.8 0.0
OD2 B:ASP108 4.5 37.5 1.0
O53 B:FUQ303 4.5 72.0 0.0
O35 B:FUQ303 4.7 65.4 0.0
O34 B:FUQ303 4.8 63.8 0.0
O24 B:FUQ303 4.9 69.9 0.0

Molybdenum binding site 10 out of 21 in 6h6w

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Molybdenum binding site 10 out of 21 in the Molybdenum Storage Protein- H156A


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 10 of Molybdenum Storage Protein- H156A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mo303

b:60.8
occ:0.70
MO5 B:FUQ303 0.0 60.8 0.7
O55 B:FUQ303 1.8 64.4 0.0
O52 B:FUQ303 1.8 71.7 0.0
O45 B:FUQ303 1.9 73.2 0.0
O51 B:FUQ303 1.9 71.4 0.0
O53 B:FUQ303 1.9 72.0 0.0
O54 B:FUQ303 2.1 71.9 0.0
O34 B:FUQ303 3.3 63.8 0.0
MO3 B:FUQ303 3.4 57.2 0.7
MO4 B:FUQ303 3.6 71.0 0.7
O42 B:FUQ303 3.6 87.1 0.0
O44 B:FUQ303 3.7 86.9 0.0
O35 B:FUQ303 3.8 65.4 0.0
N B:GLY128 3.9 80.8 1.0
O15 B:FUQ303 4.1 76.7 0.0
O31 B:FUQ303 4.2 63.8 0.0
O43 B:FUQ303 4.2 86.5 0.0
O33 B:FUQ303 4.2 63.9 0.0
CA B:GLY128 4.4 90.3 1.0
C B:GLY127 4.7 72.0 1.0
CA B:GLY127 4.9 49.0 1.0

Reference:

S.Brunle, J.Poppe, R.Hail, U.Demmer, U.Ermler. The Molybdenum Storage Protein - A Bionanolab For Creating Experimentally Alterable Polyoxomolybdate Clusters. J. Inorg. Biochem. V. 189 172 2018.
ISSN: ISSN 1873-3344
PubMed: 30278367
DOI: 10.1016/J.JINORGBIO.2018.09.011
Page generated: Tue Dec 15 05:20:32 2020

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