Molybdenum in PDB 6h8b: Molybdenum Storage Protein Prepared Under in Vivo-Like Conditions and Incubated with Atp and Molybdate at 303 K

The structure of Molybdenum Storage Protein Prepared Under in Vivo-Like Conditions and Incubated with Atp and Molybdate at 303 K, PDB code: 6h8b was solved by U.Ermler, J.Poppe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.42 / 1.90
Space group	P 63 2 2
Cell size a, b, c (Å), α, β, γ (°)	116.720, 116.720, 235.420, 90.00, 90.00, 120.00
R / Rfree (%)	23.4 / 24.7

The structure of Molybdenum Storage Protein Prepared Under in Vivo-Like Conditions and Incubated with Atp and Molybdate at 303 K also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 40; Page 5, Binding sites: 41 - 41;

Binding sites:

The binding sites of Molybdenum atom in the Molybdenum Storage Protein Prepared Under in Vivo-Like Conditions and Incubated with Atp and Molybdate at 303 K (pdb code 6h8b). This binding sites where shown within 5.0 Angstroms radius around Molybdenum atom.
In total 41 binding sites of Molybdenum where determined in the Molybdenum Storage Protein Prepared Under in Vivo-Like Conditions and Incubated with Atp and Molybdate at 303 K, PDB code: 6h8b:
Jump to Molybdenum binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Molybdenum binding site 1 out of 41 in the Molybdenum Storage Protein Prepared Under in Vivo-Like Conditions and Incubated with Atp and Molybdate at 303 K


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 Prepared Under in Vivo-Like Conditions and Incubated with Atp and Molybdate at 303 K within 5.0Å range: probe atom residue distance (Å) B Occ B:Mo301 b:10.0 occ:0.50 MO1 B:J7T301 0.0 10.0 0.5 O2 B:J7T301 1.8 30.0 0.0 O1 B:J7T301 1.9 30.0 0.0 O3 B:J7T301 2.0 30.0 0.0 O24 B:J7T301 2.0 30.0 0.0 O5 B:J7T301 2.1 30.0 0.0 O4 B:J7T301 2.3 30.0 0.0 MO2 B:J7T301 3.4 11.2 0.5 MO3 B:J7T301 3.4 13.3 0.5 MO4 B:J7T301 3.5 10.0 0.5 O26 B:J7T301 3.7 30.0 0.0 ND1 A:HIS156 3.7 30.7 1.0 O7 B:J7T301 3.7 30.0 0.0 O10 B:J7T301 3.8 30.0 0.0 O6 B:J7T301 3.8 30.0 0.0 O23 A:J8B304 4.0 24.7 0.7 MO8 B:J7T301 4.1 9.6 0.5 CB B:PRO151 4.2 31.4 1.0 CE1 A:HIS156 4.2 29.3 1.0 O A:HOH431 4.2 16.0 1.0 O20 B:J7T301 4.5 30.0 0.0 O25 B:J7T301 4.5 30.0 0.0 O B:HOH456 4.5 38.4 1.0 O22 B:J7T301 4.6 30.0 0.0 O9 B:J7T301 4.6 30.0 0.0 O11 B:J7T301 4.7 30.0 0.0 CG A:HIS156 4.8 29.4 1.0 O8 B:J7T301 4.8 30.0 0.0 O27 B:J7T301 4.8 30.0 0.0 CG B:PRO151 4.9 33.7 1.0

Molybdenum binding site 2 out of 41 in the Molybdenum Storage Protein Prepared Under in Vivo-Like Conditions and Incubated with Atp and Molybdate at 303 K


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 Prepared Under in Vivo-Like Conditions and Incubated with Atp and Molybdate at 303 K within 5.0Å range: probe atom residue distance (Å) B Occ B:Mo301 b:11.2 occ:0.50 MO2 B:J7T301 0.0 11.2 0.5 O6 B:J7T301 1.7 30.0 0.0 O8 B:J7T301 1.7 30.0 0.0 O24 B:J7T301 2.0 30.0 0.0 O25 B:J7T301 2.0 30.0 0.0 O7 B:J7T301 2.2 30.0 0.0 O5 B:J7T301 2.3 30.0 0.0 MO8 B:J7T301 3.3 9.6 0.5 MO1 B:J7T301 3.4 10.0 0.5 MO4 B:J7T301 3.6 10.0 0.5 O15 B:J7T301 3.8 30.0 0.0 O2 B:J7T301 3.8 30.0 0.0 CB A:HIS156 3.8 24.0 1.0 O22 B:J7T301 3.8 30.0 0.0 ND1 A:HIS158 4.0 27.9 1.0 MO5 B:J7T301 4.0 11.8 0.5 O4 B:J7T301 4.0 30.0 0.0 O11 B:J7T301 4.0 30.0 0.0 O13 B:J7T301 4.1 30.0 0.0 CG B:PRO151 4.2 33.7 1.0 ND1 A:HIS156 4.2 30.7 1.0 N A:HIS157 4.2 25.4 1.0 O14 B:J7T301 4.3 30.0 0.0 CE1 A:HIS158 4.3 28.8 1.0 O16 B:J7T301 4.4 30.0 0.0 CG A:HIS156 4.4 29.4 1.0 CB B:PRO151 4.5 31.4 1.0 CD2 A:HIS157 4.5 37.9 1.0 CB A:HIS157 4.6 31.5 1.0 O3 B:J7T301 4.7 30.0 0.0 O1 B:J7T301 4.7 30.0 0.0 O26 B:J7T301 4.9 30.0 0.0 CA A:HIS157 4.9 27.8 1.0 O20 B:J7T301 4.9 30.0 0.0 CG A:HIS157 4.9 35.7 1.0 CD B:PRO151 5.0 32.3 1.0

Molybdenum binding site 3 out of 41 in the Molybdenum Storage Protein Prepared Under in Vivo-Like Conditions and Incubated with Atp and Molybdate at 303 K


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 Prepared Under in Vivo-Like Conditions and Incubated with Atp and Molybdate at 303 K within 5.0Å range: probe atom residue distance (Å) B Occ B:Mo301 b:13.3 occ:0.50 MO3 B:J7T301 0.0 13.3 0.5 O27 B:J7T301 1.8 30.0 0.0 O10 B:J7T301 1.9 30.0 0.0 O9 B:J7T301 1.9 30.0 0.0 O3 B:J7T301 2.0 30.0 0.0 O4 B:J7T301 2.1 30.0 0.0 O26 B:J7T301 2.2 30.0 0.0 MO1 B:J7T301 3.4 10.0 0.5 MO4 B:J7T301 3.4 10.0 0.5 MO9 B:J7T301 3.7 29.7 0.5 O1 B:J7T301 3.8 30.0 0.0 O5 B:J7T301 3.8 30.0 0.0 NZ B:LYS153 3.8 59.0 1.0 MO6 B:J7T301 4.0 12.8 0.5 O12 B:J7T301 4.0 30.0 0.0 O18 B:J7T301 4.2 30.0 0.0 O20 B:J7T301 4.3 30.0 0.0 O29 B:J7T301 4.5 30.0 0.0 O19 B:J7T301 4.5 30.0 0.0 O11 B:J7T301 4.6 30.0 0.0 O2 B:J7T301 4.8 30.0 0.0 O24 B:J7T301 4.8 30.0 0.0 O B:HOH456 4.9 38.4 1.0 O30 B:J7T301 5.0 30.0 0.0 O7 B:J7T301 5.0 30.0 0.0

Molybdenum binding site 4 out of 41 in the Molybdenum Storage Protein Prepared Under in Vivo-Like Conditions and Incubated with Atp and Molybdate at 303 K


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 Prepared Under in Vivo-Like Conditions and Incubated with Atp and Molybdate at 303 K within 5.0Å range: probe atom residue distance (Å) B Occ B:Mo301 b:10.0 occ:0.50 MO4 B:J7T301 0.0 10.0 0.5 O12 B:J7T301 1.8 30.0 0.0 O4 B:J7T301 1.9 30.0 0.0 O7 B:J7T301 1.9 30.0 0.0 O11 B:J7T301 2.1 30.0 0.0 O26 B:J7T301 2.2 30.0 0.0 O5 B:J7T301 2.4 30.0 0.0 MO6 B:J7T301 3.4 12.8 0.5 O25 B:J7T301 3.4 30.0 0.0 MO3 B:J7T301 3.4 13.3 0.5 O24 B:J7T301 3.5 30.0 0.0 MO1 B:J7T301 3.5 10.0 0.5 MO2 B:J7T301 3.6 11.2 0.5 MO8 B:J7T301 3.6 9.6 0.5 O3 B:J7T301 3.6 30.0 0.0 O19 B:J7T301 3.8 30.0 0.0 O20 B:J7T301 3.8 30.0 0.0 CB B:PRO151 3.8 31.4 1.0 O27 B:J7T301 3.9 30.0 0.0 O21 B:J7T301 3.9 30.0 0.0 O14 B:J7T301 4.1 30.0 0.0 MO7 B:J7T301 4.1 9.0 0.5 CG B:PRO151 4.3 33.7 1.0 O16 B:J7T301 4.4 30.0 0.0 O30 B:J7T301 4.5 30.0 0.0 CD B:PRO151 4.5 32.3 1.0 O17 B:J7T301 4.5 30.0 0.0 O8 B:J7T301 4.5 30.0 0.0 CA B:PRO151 4.5 30.0 1.0 CE1 A:HIS158 4.6 28.8 1.0 N B:PRO151 4.6 29.1 1.0 O1 B:J7T301 4.7 30.0 0.0 MO9 B:J7T301 4.8 29.7 0.5 O9 B:J7T301 4.9 30.0 0.0 O18 B:J7T301 4.9 30.0 0.0 ND1 A:HIS158 4.9 27.9 1.0 O10 B:J7T301 4.9 30.0 0.0

Molybdenum binding site 5 out of 41 in the Molybdenum Storage Protein Prepared Under in Vivo-Like Conditions and Incubated with Atp and Molybdate at 303 K


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 Prepared Under in Vivo-Like Conditions and Incubated with Atp and Molybdate at 303 K within 5.0Å range: probe atom residue distance (Å) B Occ B:Mo301 b:11.8 occ:0.50 MO5 B:J7T301 0.0 11.8 0.5 O13 B:J7T301 1.8 30.0 0.0 O28 B:J7T301 1.8 30.0 0.0 O14 B:J7T301 1.9 30.0 0.0 O15 B:J7T301 1.9 30.0 0.0 O25 B:J7T301 2.2 30.0 0.0 O16 B:J7T301 2.2 30.0 0.0 MO7 B:J7T301 3.3 9.0 0.5 MO8 B:J7T301 3.4 9.6 0.5 MO1 B:J7N302 3.8 20.2 0.5 O23 B:J7T301 3.9 30.0 0.0 O11 B:J7T301 3.9 30.0 0.0 O22 B:J7T301 3.9 30.0 0.0 MO2 B:J7T301 4.0 11.2 0.5 CE1 A:HIS158 4.0 28.8 1.0 O8 B:J7T301 4.3 30.0 0.0 CE2 B:PHE180 4.3 39.4 1.0 CA B:GLY128 4.3 34.7 1.0 CZ B:PHE180 4.4 40.6 1.0 O7 B:J7T301 4.4 30.0 0.0 O1 B:J7N302 4.5 30.0 0.0 O6 B:J7T301 4.5 30.0 0.0 CD1 B:LEU176 4.5 35.5 1.0 CB A:HIS157 4.6 31.5 1.0 O21 B:J7T301 4.6 30.0 0.0 N B:ALA129 4.6 36.4 1.0 O5 B:J7T301 4.6 30.0 0.0 ND1 A:HIS158 4.7 27.9 1.0 N B:GLY130 4.7 36.6 1.0 CG B:LEU176 4.8 32.3 1.0 C B:GLY128 4.8 31.8 1.0 N B:GLY128 4.8 36.6 1.0 O17 B:J7T301 4.9 30.0 0.0

Molybdenum binding site 6 out of 41 in the Molybdenum Storage Protein Prepared Under in Vivo-Like Conditions and Incubated with Atp and Molybdate at 303 K


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 Prepared Under in Vivo-Like Conditions and Incubated with Atp and Molybdate at 303 K within 5.0Å range: probe atom residue distance (Å) B Occ B:Mo301 b:12.8 occ:0.50 MO6 B:J7T301 0.0 12.8 0.5 O18 B:J7T301 1.8 30.0 0.0 O19 B:J7T301 1.9 30.0 0.0 O26 B:J7T301 2.0 30.0 0.0 O17 B:J7T301 2.0 30.0 0.0 O20 B:J7T301 2.2 30.0 0.0 O11 B:J7T301 2.3 30.0 0.0 MO7 B:J7T301 3.3 9.0 0.5 MO4 B:J7T301 3.4 10.0 0.5 O B:HOH447 3.6 25.4 1.0 MO8 B:J7T301 3.6 9.6 0.5 O21 B:J7T301 3.7 30.0 0.0 O29 B:J7T301 3.7 30.0 0.0 O12 B:J7T301 3.9 30.0 0.0 O16 B:J7T301 3.9 30.0 0.0 MO3 B:J7T301 4.0 13.3 0.5 O9 B:J7T301 4.0 30.0 0.0 CA B:GLY127 4.0 40.1 1.0 O5 B:J7T301 4.1 30.0 0.0 O3 B:J7T301 4.3 30.0 0.0 O4 B:J7T301 4.3 30.0 0.0 N B:GLY128 4.3 36.6 1.0 O27 B:J7T301 4.3 30.0 0.0 MO9 B:J7T301 4.4 29.7 0.5 O23 B:J7T301 4.7 30.0 0.0 O30 B:J7T301 4.7 30.0 0.0 C B:GLY127 4.7 42.5 1.0 OG B:SER147 4.7 43.9 1.0 O14 B:J7T301 4.8 30.0 0.0 O25 B:J7T301 4.9 30.0 0.0 O7 B:J7T301 5.0 30.0 0.0

Molybdenum binding site 7 out of 41 in the Molybdenum Storage Protein Prepared Under in Vivo-Like Conditions and Incubated with Atp and Molybdate at 303 K


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 Prepared Under in Vivo-Like Conditions and Incubated with Atp and Molybdate at 303 K within 5.0Å range: probe atom residue distance (Å) B Occ B:Mo301 b:9.0 occ:0.50 MO7 B:J7T301 0.0 9.0 0.5 O21 B:J7T301 1.8 30.0 0.0 O23 B:J7T301 1.9 30.0 0.0 O14 B:J7T301 2.0 30.0 0.0 O17 B:J7T301 2.0 30.0 0.0 O11 B:J7T301 2.2 30.0 0.0 O16 B:J7T301 2.2 30.0 0.0 MO6 B:J7T301 3.3 12.8 0.5 MO5 B:J7T301 3.3 11.8 0.5 MO8 B:J7T301 3.5 9.6 0.5 O25 B:J7T301 3.6 30.0 0.0 O19 B:J7T301 3.8 30.0 0.0 O20 B:J7T301 3.8 30.0 0.0 N B:GLY128 3.9 36.6 1.0 O28 B:J7T301 3.9 30.0 0.0 O B:HOH447 4.1 25.4 1.0 MO4 B:J7T301 4.1 10.0 0.5 O B:HOH450 4.3 26.3 1.0 N B:ALA129 4.3 36.4 1.0 CA B:GLY128 4.4 34.7 1.0 O26 B:J7T301 4.5 30.0 0.0 CB B:PHE146 4.5 31.9 1.0 O13 B:J7T301 4.6 30.0 0.0 CD2 B:PHE146 4.6 32.3 1.0 O12 B:J7T301 4.6 30.0 0.0 CD1 B:LEU176 4.6 35.5 1.0 O7 B:J7T301 4.6 30.0 0.0 O5 B:J7T301 4.7 30.0 0.0 CE1 A:HIS158 4.8 28.8 1.0 O18 B:J7T301 4.8 30.0 0.0 CG B:PHE146 4.8 31.8 1.0 C B:GLY127 4.9 42.5 1.0 C B:GLY128 4.9 31.8 1.0 CA B:GLY127 4.9 40.1 1.0 O15 B:J7T301 4.9 30.0 0.0 O B:SER147 5.0 29.9 1.0 O22 B:J7T301 5.0 30.0 0.0

Molybdenum binding site 8 out of 41 in the Molybdenum Storage Protein Prepared Under in Vivo-Like Conditions and Incubated with Atp and Molybdate at 303 K


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 Prepared Under in Vivo-Like Conditions and Incubated with Atp and Molybdate at 303 K within 5.0Å range: probe atom residue distance (Å) B Occ B:Mo301 b:9.6 occ:0.50 MO8 B:J7T301 0.0 9.6 0.5 O22 B:J7T301 1.8 30.0 0.0 O20 B:J7T301 1.9 30.0 0.0 O16 B:J7T301 1.9 30.0 0.0 O5 B:J7T301 2.2 30.0 0.0 O25 B:J7T301 2.2 30.0 0.0 O11 B:J7T301 2.5 30.0 0.0 MO2 B:J7T301 3.3 11.2 0.5 MO5 B:J7T301 3.4 11.8 0.5 O26 B:J7T301 3.4 30.0 0.0 O15 B:J7T301 3.5 30.0 0.0 MO7 B:J7T301 3.5 9.0 0.5 MO4 B:J7T301 3.6 10.0 0.5 MO6 B:J7T301 3.6 12.8 0.5 O14 B:J7T301 3.6 30.0 0.0 O17 B:J7T301 3.7 30.0 0.0 N B:GLY128 3.7 36.6 1.0 O6 B:J7T301 3.8 30.0 0.0 O7 B:J7T301 3.8 30.0 0.0 CA B:GLY128 3.9 34.7 1.0 O3 B:J7T301 4.0 30.0 0.0 MO1 B:J7T301 4.1 10.0 0.5 O2 B:J7T301 4.3 30.0 0.0 O24 B:J7T301 4.3 30.0 0.0 O4 B:J7T301 4.4 30.0 0.0 O2 B:J7N302 4.4 30.0 0.0 MO1 B:J7N302 4.5 20.2 0.5 O28 B:J7T301 4.6 30.0 0.0 O18 B:J7T301 4.6 30.0 0.0 C B:GLY127 4.8 42.5 1.0 O23 B:J7T301 4.8 30.0 0.0 O13 B:J7T301 4.8 30.0 0.0 O8 B:J7T301 4.8 30.0 0.0 O21 B:J7T301 4.8 30.0 0.0 O21 A:J7Q301 4.9 30.0 0.0

Molybdenum binding site 9 out of 41 in the Molybdenum Storage Protein Prepared Under in Vivo-Like Conditions and Incubated with Atp and Molybdate at 303 K


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 Prepared Under in Vivo-Like Conditions and Incubated with Atp and Molybdate at 303 K within 5.0Å range: probe atom residue distance (Å) B Occ B:Mo301 b:29.7 occ:0.50 MO9 B:J7T301 0.0 29.7 0.5 O27 B:J7T301 2.2 30.0 0.0 O31 B:J7T301 2.2 30.0 0.0 O29 B:J7T301 2.2 30.0 0.0 O30 B:J7T301 2.2 30.0 0.0 O19 B:J7T301 3.4 30.0 0.0 MO3 B:J7T301 3.7 13.3 0.5 OD2 B:ASP108 3.8 45.5 1.0 OD1 B:ASP108 3.9 45.6 1.0 O12 B:J7T301 3.9 30.0 0.0 O B:HOH409 4.0 38.0 1.0 O26 B:J7T301 4.0 30.0 0.0 OG B:SER147 4.1 43.9 1.0 O9 B:J7T301 4.1 30.0 0.0 CG B:ASP108 4.3 44.7 1.0 NZ B:LYS153 4.3 59.0 1.0 MO6 B:J7T301 4.4 12.8 0.5 CE B:LYS153 4.6 57.5 1.0 O18 B:J7T301 4.7 30.0 0.0 O4 B:J7T301 4.7 30.0 0.0 O10 B:J7T301 4.8 30.0 0.0 MO4 B:J7T301 4.8 10.0 0.5 CB B:SER104 4.8 39.1 1.0

Molybdenum binding site 10 out of 41 in the Molybdenum Storage Protein Prepared Under in Vivo-Like Conditions and Incubated with Atp and Molybdate at 303 K


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 Prepared Under in Vivo-Like Conditions and Incubated with Atp and Molybdate at 303 K within 5.0Å range: probe atom residue distance (Å) B Occ B:Mo302 b:20.2 occ:0.50 MO1 B:J7N302 0.0 20.2 0.5 O1 B:J7N302 2.1 30.0 0.0 O15 B:J7T301 2.2 30.0 0.0 O3 B:J7N302 2.2 30.0 0.0 O2 B:J7N302 2.3 30.0 0.0 O22 B:J7T301 3.3 30.0 0.0 MO2 B:J7N302 3.6 28.0 0.5 MO5 B:J7T301 3.8 11.8 0.5 O28 B:J7T301 3.9 30.0 0.0 CD2 A:HIS157 3.9 37.9 1.0 NE2 A:HIS157 4.0 37.6 1.0 CA B:GLY128 4.1 34.7 1.0 O4 B:J7N302 4.1 30.0 0.0 CZ B:PHE180 4.2 40.6 1.0 O16 B:J7T301 4.3 30.0 0.0 O5 B:J7N302 4.3 30.0 0.0 CG A:HIS157 4.4 35.7 1.0 CE1 A:HIS157 4.5 39.4 1.0 MO8 B:J7T301 4.5 9.6 0.5 O25 B:J7T301 4.5 30.0 0.0 CB B:LEU131 4.5 38.5 1.0 O6 B:J7T301 4.6 30.0 0.0 N B:LEU131 4.7 37.4 1.0 C B:GLY128 4.7 31.8 1.0 O21 A:J7Q301 4.7 30.0 0.0 ND1 A:HIS157 4.7 38.0 1.0 O13 B:J7T301 4.8 30.0 0.0 CE1 B:PHE180 4.8 37.6 1.0 O B:GLY128 4.9 25.5 1.0

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