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Molybdenum in PDB 6h8h: Molybdenum Storage Protein - in A Recombinant and in Vivo-Like Form

Protein crystallography data

The structure of Molybdenum Storage Protein - in A Recombinant and in Vivo-Like Form, PDB code: 6h8h 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) 46.94 / 1.90
Space group P 63 2 2
Cell size a, b, c (Å), α, β, γ (°) 117.100, 117.100, 235.620, 90.00, 90.00, 120.00
R / Rfree (%) 20.6 / 22.1

Other elements in 6h8h:

The structure of Molybdenum Storage Protein - in A Recombinant and in Vivo-Like Form 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 - 30;

Binding sites:

The binding sites of Molybdenum atom in the Molybdenum Storage Protein - in A Recombinant and in Vivo-Like Form (pdb code 6h8h). This binding sites where shown within 5.0 Angstroms radius around Molybdenum atom.
In total 30 binding sites of Molybdenum where determined in the Molybdenum Storage Protein - in A Recombinant and in Vivo-Like Form, PDB code: 6h8h:
Jump to Molybdenum binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Molybdenum binding site 1 out of 30 in 6h8h

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Molybdenum binding site 1 out of 30 in the Molybdenum Storage Protein - in A Recombinant and in Vivo-Like Form


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 - in A Recombinant and in Vivo-Like Form within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mo301

b:52.4
occ:0.40
MO1 B:8M0301 0.0 52.4 0.4
O2 B:8M0301 1.8 46.9 0.0
O1 B:8M0301 1.9 45.9 0.0
O3 B:8M0301 1.9 49.0 0.0
O24 B:8M0301 2.0 49.5 0.0
O5 B:8M0301 2.1 52.2 0.0
O4 B:8M0301 2.3 50.0 0.0
MO2 B:8M0301 3.4 49.6 0.4
MO3 B:8M0301 3.4 47.2 0.4
MO4 B:8M0301 3.5 54.9 0.4
O26 B:8M0301 3.5 53.4 0.0
ND1 A:HIS156 3.6 55.4 1.0
O10 B:8M0301 3.7 44.9 0.0
O7 B:8M0301 3.7 51.1 0.0
O6 B:8M0301 3.9 45.1 0.0
CB B:PRO151 4.0 37.4 1.0
MO8 B:8M0301 4.0 54.5 0.4
CE1 A:HIS156 4.2 50.3 1.0
O23 A:8M0303 4.2 38.7 0.7
O27 B:8M0301 4.2 44.7 0.0
O20 B:8M0301 4.3 48.5 0.0
O22 B:8M0301 4.5 49.0 0.0
O25 B:8M0301 4.5 51.8 0.0
O44 B:FUQ302 4.6 62.6 0.0
O B:HOH467 4.6 38.3 1.0
CG B:PRO151 4.6 38.3 1.0
CG A:HIS156 4.7 52.9 1.0
O11 B:8M0301 4.7 53.1 0.0
O9 B:8M0301 4.8 45.6 0.0
O8 B:8M0301 4.8 44.9 0.0

Molybdenum binding site 2 out of 30 in 6h8h

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Molybdenum binding site 2 out of 30 in the Molybdenum Storage Protein - in A Recombinant and in Vivo-Like Form


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 - in A Recombinant and in Vivo-Like Form within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mo301

b:49.6
occ:0.40
MO2 B:8M0301 0.0 49.6 0.4
O6 B:8M0301 1.7 45.1 0.0
O8 B:8M0301 1.7 44.9 0.0
O24 B:8M0301 1.9 49.5 0.0
O25 B:8M0301 2.0 51.8 0.0
O7 B:8M0301 2.2 51.1 0.0
O5 B:8M0301 2.3 52.2 0.0
MO8 B:8M0301 3.2 54.5 0.4
MO1 B:8M0301 3.4 52.4 0.4
MO4 B:8M0301 3.5 54.9 0.4
O22 B:8M0301 3.6 49.0 0.0
ND1 A:HIS158 3.8 33.1 1.0
O2 B:8M0301 3.8 46.9 0.0
CB A:HIS156 3.9 35.9 1.0
O13 B:8M0301 3.9 45.9 0.0
O4 B:8M0301 3.9 50.0 0.0
MO5 B:8M0301 4.0 51.4 0.4
O11 B:8M0301 4.0 53.1 0.0
O15 B:8M0301 4.1 46.1 0.0
N A:HIS157 4.2 29.1 1.0
O14 B:8M0301 4.2 50.8 0.0
CG B:PRO151 4.2 38.3 1.0
CE1 A:HIS158 4.3 36.3 1.0
O16 B:8M0301 4.3 53.2 0.0
ND1 A:HIS156 4.3 55.4 1.0
CD2 A:HIS157 4.4 47.7 1.0
CB A:HIS157 4.6 33.5 1.0
CG A:HIS156 4.6 52.9 1.0
CB B:PRO151 4.6 37.4 1.0
O1 B:8M0301 4.7 45.9 0.0
O A:TYR155 4.7 32.8 1.0
CG A:HIS157 4.8 45.0 1.0
O3 B:8M0301 4.8 49.0 0.0
O20 B:8M0301 4.8 48.5 0.0
O26 B:8M0301 4.9 53.4 0.0
CA A:HIS157 4.9 27.2 1.0
N A:HIS158 4.9 20.9 1.0
CD B:PRO151 4.9 34.0 1.0
CA A:HIS156 5.0 28.7 1.0

Molybdenum binding site 3 out of 30 in 6h8h

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Molybdenum binding site 3 out of 30 in the Molybdenum Storage Protein - in A Recombinant and in Vivo-Like Form


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 - in A Recombinant and in Vivo-Like Form within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mo301

b:47.2
occ:0.40
MO3 B:8M0301 0.0 47.2 0.4
O27 B:8M0301 1.8 44.7 0.0
O10 B:8M0301 1.8 44.9 0.0
O9 B:8M0301 1.9 45.6 0.0
O3 B:8M0301 2.0 49.0 0.0
O4 B:8M0301 2.1 50.0 0.0
O26 B:8M0301 2.2 53.4 0.0
MO4 B:8M0301 3.3 54.9 0.4
MO1 B:8M0301 3.4 52.4 0.4
O12 B:8M0301 3.8 49.1 0.0
O1 B:8M0301 3.9 45.9 0.0
O5 B:8M0301 3.9 52.2 0.0
MO6 B:8M0301 3.9 54.4 0.4
O44 B:FUQ302 4.1 62.6 0.0
NZ B:LYS153 4.2 45.8 1.0
O13 B:FUQ302 4.2 63.3 0.0
O18 B:8M0301 4.3 50.6 0.0
O19 B:8M0301 4.4 50.1 0.0
O20 B:8M0301 4.4 48.5 0.0
CB B:PRO151 4.5 37.4 1.0
O25 B:FUQ302 4.6 65.8 0.0
O11 B:8M0301 4.6 53.1 0.0
O54 B:FUQ302 4.7 66.0 0.0
O B:HOH467 4.7 38.3 1.0
CE B:LYS153 4.7 57.7 1.0
O24 B:8M0301 4.8 49.5 0.0
O15 B:FUQ302 4.8 67.2 0.0
O33 B:FUQ302 4.8 55.5 0.0
O2 B:8M0301 4.8 46.9 0.0
O45 B:FUQ302 4.8 68.7 0.0
O7 B:8M0301 4.9 51.1 0.0
CA B:PRO151 5.0 36.1 1.0

Molybdenum binding site 4 out of 30 in 6h8h

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Molybdenum binding site 4 out of 30 in the Molybdenum Storage Protein - in A Recombinant and in Vivo-Like Form


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 - in A Recombinant and in Vivo-Like Form within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mo301

b:54.9
occ:0.40
MO4 B:8M0301 0.0 54.9 0.4
O12 B:8M0301 1.8 49.1 0.0
O4 B:8M0301 1.9 50.0 0.0
O7 B:8M0301 1.9 51.1 0.0
O11 B:8M0301 2.0 53.1 0.0
O26 B:8M0301 2.2 53.4 0.0
O5 B:8M0301 2.3 52.2 0.0
MO6 B:8M0301 3.2 54.4 0.4
MO3 B:8M0301 3.3 47.2 0.4
MO8 B:8M0301 3.4 54.5 0.4
O25 B:8M0301 3.4 51.8 0.0
O24 B:8M0301 3.5 49.5 0.0
MO1 B:8M0301 3.5 52.4 0.4
MO2 B:8M0301 3.5 49.6 0.4
O3 B:8M0301 3.6 49.0 0.0
O19 B:8M0301 3.6 50.1 0.0
O20 B:8M0301 3.7 48.5 0.0
CB B:PRO151 3.7 37.4 1.0
O21 B:8M0301 3.9 48.2 0.0
MO7 B:8M0301 4.1 53.5 0.4
O14 B:8M0301 4.1 50.8 0.0
CG B:PRO151 4.1 38.3 1.0
CD B:PRO151 4.3 34.0 1.0
O27 B:8M0301 4.3 44.7 0.0
CE1 A:HIS158 4.3 36.3 1.0
O17 B:8M0301 4.3 54.2 0.0
O16 B:8M0301 4.3 53.2 0.0
CA B:PRO151 4.5 36.1 1.0
N B:PRO151 4.5 31.9 1.0
O8 B:8M0301 4.5 44.9 0.0
ND1 A:HIS158 4.6 33.1 1.0
O B:MET149 4.6 26.3 1.0
O18 B:8M0301 4.7 50.6 0.0
O9 B:8M0301 4.7 45.6 0.0
O1 B:8M0301 4.7 45.9 0.0
O10 B:8M0301 4.9 44.9 0.0
O22 B:8M0301 4.9 49.0 0.0
O2 B:8M0301 5.0 46.9 0.0

Molybdenum binding site 5 out of 30 in 6h8h

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Molybdenum binding site 5 out of 30 in the Molybdenum Storage Protein - in A Recombinant and in Vivo-Like Form


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 - in A Recombinant and in Vivo-Like Form within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mo301

b:51.4
occ:0.40
MO5 B:8M0301 0.0 51.4 0.4
O13 B:8M0301 1.8 45.9 0.0
O28 B:8M0301 1.8 46.6 0.0
O14 B:8M0301 1.9 50.8 0.0
O15 B:8M0301 2.0 46.1 0.0
O25 B:8M0301 2.2 51.8 0.0
O16 B:8M0301 2.2 53.2 0.0
MO7 B:8M0301 3.3 53.5 0.4
MO8 B:8M0301 3.3 54.5 0.4
CD2 B:LEU176 3.6 50.4 1.0
O22 B:8M0301 3.8 49.0 0.0
O23 B:8M0301 3.9 49.3 0.0
O11 B:8M0301 3.9 53.1 0.0
MO2 B:8M0301 4.0 49.6 0.4
CD1 B:LEU176 4.2 58.1 1.0
CE2 B:PHE180 4.2 53.1 1.0
CE1 A:HIS158 4.2 36.3 1.0
O8 B:8M0301 4.3 44.9 0.0
O6 B:8M0301 4.3 45.1 0.0
CD2 A:HIS157 4.4 47.7 1.0
CZ B:PHE180 4.4 47.6 1.0
O7 B:8M0301 4.4 51.1 0.0
CG B:LEU176 4.5 51.7 1.0
N B:ALA129 4.5 62.7 1.0
CA B:GLY128 4.5 65.2 1.0
O21 B:8M0301 4.6 48.2 0.0
CB A:HIS157 4.6 33.5 1.0
O5 B:8M0301 4.7 52.2 0.0
ND1 A:HIS158 4.7 33.1 1.0
N B:GLY130 4.8 63.9 1.0
C B:GLY128 4.8 68.0 1.0
O17 B:8M0301 4.8 54.2 0.0
CG A:HIS157 4.9 45.0 1.0
O20 B:8M0301 5.0 48.5 0.0

Molybdenum binding site 6 out of 30 in 6h8h

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Molybdenum binding site 6 out of 30 in the Molybdenum Storage Protein - in A Recombinant and in Vivo-Like Form


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 - in A Recombinant and in Vivo-Like Form within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mo301

b:54.4
occ:0.40
MO6 B:8M0301 0.0 54.4 0.4
O18 B:8M0301 1.8 50.6 0.0
O19 B:8M0301 1.9 50.1 0.0
O26 B:8M0301 2.0 53.4 0.0
O17 B:8M0301 2.0 54.2 0.0
O20 B:8M0301 2.2 48.5 0.0
O11 B:8M0301 2.3 53.1 0.0
MO4 B:8M0301 3.2 54.9 0.4
MO7 B:8M0301 3.3 53.5 0.4
MO8 B:8M0301 3.4 54.5 0.4
O21 B:8M0301 3.7 48.2 0.0
O12 B:8M0301 3.7 49.1 0.0
O B:HOH447 3.8 45.2 1.0
O16 B:8M0301 3.8 53.2 0.0
CA B:GLY127 3.9 49.1 1.0
O5 B:8M0301 3.9 52.2 0.0
MO3 B:8M0301 3.9 47.2 0.4
O9 B:8M0301 4.0 45.6 0.0
C B:GLY127 4.0 62.3 1.0
O54 B:FUQ302 4.1 66.0 0.0
O4 B:8M0301 4.2 50.0 0.0
O3 B:8M0301 4.2 49.0 0.0
O B:GLY127 4.4 72.7 1.0
N B:GLY128 4.4 64.5 1.0
O23 B:8M0301 4.7 49.3 0.0
O25 B:8M0301 4.7 51.8 0.0
O14 B:8M0301 4.7 50.8 0.0
O7 B:8M0301 4.8 51.1 0.0
O22 B:8M0301 4.9 49.0 0.0

Molybdenum binding site 7 out of 30 in 6h8h

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Molybdenum binding site 7 out of 30 in the Molybdenum Storage Protein - in A Recombinant and in Vivo-Like Form


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 - in A Recombinant and in Vivo-Like Form within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mo301

b:53.5
occ:0.40
MO7 B:8M0301 0.0 53.5 0.4
O21 B:8M0301 1.8 48.2 0.0
O23 B:8M0301 1.9 49.3 0.0
O14 B:8M0301 2.0 50.8 0.0
O17 B:8M0301 2.0 54.2 0.0
O11 B:8M0301 2.2 53.1 0.0
O16 B:8M0301 2.2 53.2 0.0
MO6 B:8M0301 3.3 54.4 0.4
MO5 B:8M0301 3.3 51.4 0.4
MO8 B:8M0301 3.4 54.5 0.4
O25 B:8M0301 3.5 51.8 0.0
O28 B:8M0301 3.8 46.6 0.0
O19 B:8M0301 3.8 50.1 0.0
O20 B:8M0301 3.8 48.5 0.0
MO4 B:8M0301 4.1 54.9 0.4
CD1 B:LEU176 4.1 58.1 1.0
N B:GLY128 4.2 64.5 1.0
O B:HOH422 4.2 45.4 1.0
N B:ALA129 4.3 62.7 1.0
CD2 B:PHE146 4.4 30.1 1.0
CA B:GLY128 4.5 65.2 1.0
O B:SER147 4.5 29.1 1.0
O7 B:8M0301 4.5 51.1 0.0
O12 B:8M0301 4.5 49.1 0.0
O26 B:8M0301 4.6 53.4 0.0
CB B:PHE146 4.6 24.8 1.0
CE1 A:HIS158 4.6 36.3 1.0
O B:HOH447 4.7 45.2 1.0
CG B:PHE146 4.7 25.5 1.0
O5 B:8M0301 4.7 52.2 0.0
O13 B:8M0301 4.7 45.9 0.0
O15 B:8M0301 4.7 46.1 0.0
C B:GLY127 4.8 62.3 1.0
O18 B:8M0301 4.8 50.6 0.0
O22 B:8M0301 4.9 49.0 0.0
CD2 B:LEU176 4.9 50.4 1.0
C B:GLY128 5.0 68.0 1.0
CG B:LEU176 5.0 51.7 1.0

Molybdenum binding site 8 out of 30 in 6h8h

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Molybdenum binding site 8 out of 30 in the Molybdenum Storage Protein - in A Recombinant and in Vivo-Like Form


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 - in A Recombinant and in Vivo-Like Form within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mo301

b:54.5
occ:0.40
MO8 B:8M0301 0.0 54.5 0.4
O22 B:8M0301 1.8 49.0 0.0
O20 B:8M0301 1.9 48.5 0.0
O16 B:8M0301 1.9 53.2 0.0
O5 B:8M0301 2.1 52.2 0.0
O25 B:8M0301 2.1 51.8 0.0
O11 B:8M0301 2.4 53.1 0.0
MO2 B:8M0301 3.2 49.6 0.4
MO5 B:8M0301 3.3 51.4 0.4
O26 B:8M0301 3.4 53.4 0.0
MO4 B:8M0301 3.4 54.9 0.4
O15 B:8M0301 3.4 46.1 0.0
MO6 B:8M0301 3.4 54.4 0.4
MO7 B:8M0301 3.4 53.5 0.4
O14 B:8M0301 3.5 50.8 0.0
O17 B:8M0301 3.5 54.2 0.0
O7 B:8M0301 3.6 51.1 0.0
O6 B:8M0301 3.7 45.1 0.0
CA B:GLY128 4.0 65.2 1.0
O B:GLY127 4.0 72.7 1.0
MO1 B:8M0301 4.0 52.4 0.4
N B:GLY128 4.1 64.5 1.0
O3 B:8M0301 4.1 49.0 0.0
O24 B:8M0301 4.2 49.5 0.0
C B:GLY127 4.2 62.3 1.0
O2 B:8M0301 4.2 46.9 0.0
O4 B:8M0301 4.3 50.0 0.0
O18 B:8M0301 4.5 50.6 0.0
O13 B:8M0301 4.6 45.9 0.0
O28 B:8M0301 4.6 46.6 0.0
O8 B:8M0301 4.7 44.9 0.0
O21 B:8M0301 4.7 48.2 0.0
O23 B:8M0301 4.7 49.3 0.0
O19 B:8M0301 5.0 50.1 0.0
O12 B:8M0301 5.0 49.1 0.0

Molybdenum binding site 9 out of 30 in 6h8h

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Molybdenum binding site 9 out of 30 in the Molybdenum Storage Protein - in A Recombinant and in Vivo-Like Form


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 - in A Recombinant and in Vivo-Like Form within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mo302

b:67.8
occ:0.50
MO1 B:FUQ302 0.0 67.8 0.5
O15 B:FUQ302 1.8 67.2 0.0
O25 B:FUQ302 1.9 65.8 0.0
O14 B:FUQ302 1.9 64.5 0.0
O11 B:FUQ302 1.9 63.6 0.0
O12 B:FUQ302 2.0 63.9 0.0
O13 B:FUQ302 2.1 63.3 0.0
MO4 B:FUQ302 3.5 67.7 0.5
O41 B:FUQ302 3.6 62.8 0.0
O10 B:8M0301 3.7 44.9 0.0
MO2 B:FUQ302 3.7 65.1 0.5
O22 B:FUQ302 3.9 61.3 0.0
O24 B:FUQ302 3.9 62.6 0.0
O44 B:FUQ302 3.9 62.6 0.0
O35 B:FUQ302 4.0 61.5 0.0
O43 B:FUQ302 4.1 63.8 0.0
O45 B:FUQ302 4.2 68.7 0.0
O23 B:FUQ302 4.3 61.1 0.0
O9 B:8M0301 4.5 45.6 0.0
CG A:PRO131 4.5 40.2 1.0
O55 B:FUQ302 4.7 63.1 0.0
CB A:PRO131 4.8 37.2 1.0
O27 B:8M0301 4.9 44.7 0.0

Molybdenum binding site 10 out of 30 in 6h8h

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Molybdenum binding site 10 out of 30 in the Molybdenum Storage Protein - in A Recombinant and in Vivo-Like Form


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 - in A Recombinant and in Vivo-Like Form within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mo302

b:65.1
occ:0.50
MO2 B:FUQ302 0.0 65.1 0.5
O35 B:FUQ302 1.6 61.5 0.0
O21 B:FUQ302 1.9 62.1 0.0
O23 B:FUQ302 1.9 61.1 0.0
O22 B:FUQ302 1.9 61.3 0.0
O24 B:FUQ302 2.0 62.6 0.0
O25 B:FUQ302 2.0 65.8 0.0
MO3 B:FUQ302 3.0 58.2 0.5
O33 B:FUQ302 3.1 55.5 0.0
O31 B:FUQ302 3.5 56.4 0.0
O14 B:FUQ302 3.6 64.5 0.0
MO1 B:FUQ302 3.7 67.8 0.5
O55 B:FUQ302 3.7 63.1 0.0
O11 B:FUQ302 3.7 63.6 0.0
O15 B:FUQ302 4.1 67.2 0.0
O32 B:FUQ302 4.2 56.9 0.0
O9 B:8M0301 4.6 45.6 0.0
NZ B:LYS153 4.7 45.8 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 05:20:37 2020

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