Molybdenum in PDB 6rke: Molybdenum Storage Protein - P212121, Adp, Molybdate

The structure of Molybdenum Storage Protein - P212121, Adp, Molybdate, PDB code: 6rke 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)	49.49 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	128.060, 148.860, 183.170, 90.00, 90.00, 90.00
R / Rfree (%)	19.4 / 21.4

The structure of Molybdenum Storage Protein - P212121, Adp, Molybdate also contains other interesting chemical elements:

Magnesium

(Mg)

12 atoms

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 - 50; Page 6, Binding sites: 51 - 60; Page 7, Binding sites: 61 - 70; Page 8, Binding sites: 71 - 80; Page 9, Binding sites: 81 - 90; Page 10, Binding sites: 91 - 100; Page 11, Binding sites: 101 - 110; Page 12, Binding sites: 111 - 120; Page 13, Binding sites: 121 - 130; Page 14, Binding sites: 131 - 140; Page 15, Binding sites: 141 - 144;

Binding sites:

The binding sites of Molybdenum atom in the Molybdenum Storage Protein - P212121, Adp, Molybdate (pdb code 6rke). This binding sites where shown within 5.0 Angstroms radius around Molybdenum atom.
In total 144 binding sites of Molybdenum where determined in the Molybdenum Storage Protein - P212121, Adp, Molybdate, PDB code: 6rke:
Jump to Molybdenum binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Molybdenum binding site 1 out of 144 in the Molybdenum Storage Protein - P212121, Adp, Molybdate


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 - P212121, Adp, Molybdate within 5.0Å range: probe atom residue distance (Å) B Occ B:Mo303 b:35.3 occ:0.55 MO1 B:8M0303 0.0 35.3 0.6 O2 B:8M0303 1.8 36.5 0.6 O1 B:8M0303 1.9 33.3 0.6 O3 B:8M0303 1.9 38.0 0.6 O24 B:8M0303 1.9 26.8 0.6 O5 B:8M0303 2.1 34.5 0.6 O4 B:8M0303 2.3 29.2 0.6 MO2 B:8M0303 3.3 32.7 0.6 MO3 B:8M0303 3.3 38.3 0.6 ND1 A:HIS156 3.4 39.1 1.0 MO4 B:8M0303 3.5 34.4 0.6 O26 B:8M0303 3.6 36.6 0.6 O10 B:8M0303 3.6 38.3 0.6 O7 B:8M0303 3.7 33.3 0.6 CE1 A:HIS156 3.8 38.0 1.0 O23 A:8M0303 3.8 27.8 1.0 O6 B:8M0303 3.8 35.2 0.6 CB B:PRO151 4.1 24.8 1.0 MO8 B:8M0303 4.1 35.5 0.6 O B:HOH407 4.1 29.1 1.0 O27 B:8M0303 4.2 38.0 0.6 O20 B:8M0303 4.4 30.2 0.6 CG A:HIS156 4.4 38.3 1.0 O25 B:8M0303 4.5 31.8 0.6 O22 B:8M0303 4.5 37.4 0.6 O11 B:8M0303 4.7 28.6 0.6 O9 B:8M0303 4.7 36.4 0.6 CG B:PRO151 4.8 24.3 1.0 O8 B:8M0303 4.8 25.6 0.6 NE2 A:HIS156 4.8 37.6 1.0 CB A:HIS156 5.0 28.3 1.0

Molybdenum binding site 2 out of 144 in the Molybdenum Storage Protein - P212121, Adp, Molybdate


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 - P212121, Adp, Molybdate within 5.0Å range: probe atom residue distance (Å) B Occ B:Mo303 b:32.7 occ:0.55 MO2 B:8M0303 0.0 32.7 0.6 O6 B:8M0303 1.7 35.2 0.6 O8 B:8M0303 1.7 25.6 0.6 O24 B:8M0303 1.9 26.8 0.6 O25 B:8M0303 2.0 31.8 0.6 O7 B:8M0303 2.2 33.3 0.6 O5 B:8M0303 2.3 34.5 0.6 MO8 B:8M0303 3.3 35.5 0.6 MO1 B:8M0303 3.3 35.3 0.6 CB A:HIS156 3.5 28.3 1.0 MO4 B:8M0303 3.5 34.4 0.6 O22 B:8M0303 3.7 37.4 0.6 O2 B:8M0303 3.8 36.5 0.6 O13 B:8M0303 3.9 34.5 0.6 O4 B:8M0303 3.9 29.2 0.6 ND1 A:HIS156 3.9 39.1 1.0 O11 B:8M0303 4.0 28.6 0.6 MO5 B:8M0303 4.0 33.1 0.6 ND1 A:HIS158 4.0 21.1 1.0 CG A:HIS156 4.1 38.3 1.0 O14 B:8M0303 4.2 33.1 0.6 CG B:PRO151 4.2 24.3 1.0 O15 B:8M0303 4.2 39.7 0.6 N A:HIS157 4.3 21.1 1.0 O16 B:8M0303 4.3 31.1 0.6 CD2 A:HIS157 4.3 39.5 1.0 CE1 A:HIS158 4.5 22.4 1.0 CB B:PRO151 4.5 24.8 1.0 CG A:HIS157 4.6 34.4 1.0 CB A:HIS157 4.6 28.0 1.0 O1 B:8M0303 4.7 33.3 0.6 O3 B:8M0303 4.7 38.0 0.6 O A:TYR155 4.8 17.1 1.0 CA A:HIS156 4.8 19.5 1.0 O26 B:8M0303 4.8 36.6 0.6 O20 B:8M0303 4.9 30.2 0.6 CD B:PRO151 5.0 21.3 1.0 C A:HIS156 5.0 16.1 1.0 CA A:HIS157 5.0 24.6 1.0

Molybdenum binding site 3 out of 144 in the Molybdenum Storage Protein - P212121, Adp, Molybdate


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 - P212121, Adp, Molybdate within 5.0Å range: probe atom residue distance (Å) B Occ B:Mo303 b:38.3 occ:0.55 MO3 B:8M0303 0.0 38.3 0.6 O27 B:8M0303 1.8 38.0 0.6 O10 B:8M0303 1.9 38.3 0.6 O9 B:8M0303 1.9 36.4 0.6 O3 B:8M0303 2.0 38.0 0.6 O4 B:8M0303 2.1 29.2 0.6 O26 B:8M0303 2.1 36.6 0.6 MO4 B:8M0303 3.3 34.4 0.6 MO1 B:8M0303 3.3 35.3 0.6 O1 B:8M0303 3.8 33.3 0.6 O5 B:8M0303 3.8 34.5 0.6 O12 B:8M0303 3.9 32.5 0.6 MO6 B:8M0303 3.9 37.6 0.6 O18 B:8M0303 4.2 36.7 0.6 O20 B:8M0303 4.3 30.2 0.6 O19 B:8M0303 4.4 36.7 0.6 NZ B:LYS153 4.4 49.7 1.0 O B:HOH407 4.4 29.1 1.0 O11 B:8M0303 4.5 28.6 0.6 CB B:PRO151 4.6 24.8 1.0 O24 B:8M0303 4.7 26.8 0.6 O2 B:8M0303 4.8 36.5 0.6 O7 B:8M0303 4.9 33.3 0.6

Molybdenum binding site 4 out of 144 in the Molybdenum Storage Protein - P212121, Adp, Molybdate


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 - P212121, Adp, Molybdate within 5.0Å range: probe atom residue distance (Å) B Occ B:Mo303 b:34.4 occ:0.55 MO4 B:8M0303 0.0 34.4 0.6 O12 B:8M0303 1.8 32.5 0.6 O4 B:8M0303 1.9 29.2 0.6 O7 B:8M0303 1.9 33.3 0.6 O11 B:8M0303 2.0 28.6 0.6 O26 B:8M0303 2.2 36.6 0.6 O5 B:8M0303 2.4 34.5 0.6 MO6 B:8M0303 3.3 37.6 0.6 MO3 B:8M0303 3.3 38.3 0.6 O25 B:8M0303 3.4 31.8 0.6 MO8 B:8M0303 3.4 35.5 0.6 O24 B:8M0303 3.5 26.8 0.6 MO2 B:8M0303 3.5 32.7 0.6 MO1 B:8M0303 3.5 35.3 0.6 O3 B:8M0303 3.6 38.0 0.6 CB B:PRO151 3.6 24.8 1.0 O19 B:8M0303 3.7 36.7 0.6 O20 B:8M0303 3.8 30.2 0.6 O21 B:8M0303 3.8 31.8 0.6 O14 B:8M0303 4.0 33.1 0.6 MO7 B:8M0303 4.0 35.1 0.6 CG B:PRO151 4.2 24.3 1.0 O16 B:8M0303 4.3 31.1 0.6 O27 B:8M0303 4.3 38.0 0.6 CD B:PRO151 4.4 21.3 1.0 O17 B:8M0303 4.4 32.7 0.6 CA B:PRO151 4.4 19.8 1.0 O8 B:8M0303 4.4 25.6 0.6 CE1 A:HIS158 4.5 22.4 1.0 N B:PRO151 4.5 17.6 1.0 O1 B:8M0303 4.7 33.3 0.6 ND1 A:HIS158 4.7 21.1 1.0 O9 B:8M0303 4.7 36.4 0.6 O18 B:8M0303 4.8 36.7 0.6 O10 B:8M0303 5.0 38.3 0.6 O B:MET149 5.0 17.3 1.0 O2 B:8M0303 5.0 36.5 0.6

Molybdenum binding site 5 out of 144 in the Molybdenum Storage Protein - P212121, Adp, Molybdate


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 - P212121, Adp, Molybdate within 5.0Å range: probe atom residue distance (Å) B Occ B:Mo303 b:33.1 occ:0.55 MO5 B:8M0303 0.0 33.1 0.6 O13 B:8M0303 1.8 34.5 0.6 O28 B:8M0303 1.8 30.7 0.6 O14 B:8M0303 1.9 33.1 0.6 O15 B:8M0303 2.0 39.7 0.6 O25 B:8M0303 2.2 31.8 0.6 O16 B:8M0303 2.2 31.1 0.6 MO7 B:8M0303 3.3 35.1 0.6 MO8 B:8M0303 3.4 35.5 0.6 CD1 B:LEU176 3.4 44.2 1.0 CD2 A:HIS157 3.8 39.5 1.0 O23 B:8M0303 3.8 37.1 0.6 O11 B:8M0303 3.9 28.6 0.6 O22 B:8M0303 3.9 37.4 0.6 MO2 B:8M0303 4.0 32.7 0.6 O8 B:8M0303 4.2 25.6 0.6 CG B:LEU176 4.3 34.5 1.0 CE2 B:PHE180 4.3 41.5 1.0 CZ B:PHE180 4.3 43.9 1.0 CE1 A:HIS158 4.3 22.4 1.0 CD2 B:LEU176 4.3 36.5 1.0 O7 B:8M0303 4.4 33.3 0.6 O6 B:8M0303 4.4 35.2 0.6 CB A:HIS157 4.5 28.0 1.0 CG A:HIS157 4.5 34.4 1.0 N B:ALA129 4.5 65.8 1.0 CA B:GLY128 4.5 63.3 1.0 O21 B:8M0303 4.6 31.8 0.6 O5 B:8M0303 4.6 34.5 0.6 O17 B:8M0303 4.8 32.7 0.6 C B:GLY128 4.8 64.6 1.0 ND1 A:HIS158 4.8 21.1 1.0 NE2 A:HIS157 4.9 37.8 1.0 O20 B:8M0303 5.0 30.2 0.6

Molybdenum binding site 6 out of 144 in the Molybdenum Storage Protein - P212121, Adp, Molybdate


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 - P212121, Adp, Molybdate within 5.0Å range: probe atom residue distance (Å) B Occ B:Mo303 b:37.6 occ:0.55 MO6 B:8M0303 0.0 37.6 0.6 O18 B:8M0303 1.8 36.7 0.6 O19 B:8M0303 1.9 36.7 0.6 O26 B:8M0303 2.0 36.6 0.6 O17 B:8M0303 2.0 32.7 0.6 O20 B:8M0303 2.2 30.2 0.6 O11 B:8M0303 2.3 28.6 0.6 MO4 B:8M0303 3.3 34.4 0.6 MO7 B:8M0303 3.3 35.1 0.6 MO8 B:8M0303 3.4 35.5 0.6 O21 B:8M0303 3.7 31.8 0.6 O B:HOH432 3.8 24.1 1.0 O16 B:8M0303 3.8 31.1 0.6 O12 B:8M0303 3.8 32.5 0.6 O9 B:8M0303 3.9 36.4 0.6 MO3 B:8M0303 3.9 38.3 0.6 CA B:GLY127 3.9 55.5 1.0 O5 B:8M0303 3.9 34.5 0.6 C B:GLY127 4.2 60.7 1.0 O3 B:8M0303 4.2 38.0 0.6 O4 B:8M0303 4.2 29.2 0.6 N B:GLY128 4.5 60.3 1.0 O B:GLY127 4.6 67.0 1.0 O23 B:8M0303 4.7 37.1 0.6 O14 B:8M0303 4.7 33.1 0.6 O25 B:8M0303 4.7 31.8 0.6 O B:VAL126 4.8 36.5 1.0 O7 B:8M0303 4.9 33.3 0.6 O22 B:8M0303 5.0 37.4 0.6

Molybdenum binding site 7 out of 144 in the Molybdenum Storage Protein - P212121, Adp, Molybdate


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 - P212121, Adp, Molybdate within 5.0Å range: probe atom residue distance (Å) B Occ B:Mo303 b:35.1 occ:0.55 MO7 B:8M0303 0.0 35.1 0.6 O21 B:8M0303 1.8 31.8 0.6 O23 B:8M0303 1.9 37.1 0.6 O14 B:8M0303 2.0 33.1 0.6 O17 B:8M0303 2.0 32.7 0.6 O11 B:8M0303 2.1 28.6 0.6 O16 B:8M0303 2.2 31.1 0.6 MO5 B:8M0303 3.3 33.1 0.6 MO6 B:8M0303 3.3 37.6 0.6 MO8 B:8M0303 3.5 35.5 0.6 O25 B:8M0303 3.5 31.8 0.6 O28 B:8M0303 3.7 30.7 0.6 O19 B:8M0303 3.7 36.7 0.6 O20 B:8M0303 3.9 30.2 0.6 MO4 B:8M0303 4.0 34.4 0.6 N B:GLY128 4.2 60.3 1.0 O B:HOH432 4.3 24.1 1.0 N B:ALA129 4.4 65.8 1.0 CD2 B:PHE146 4.4 14.0 1.0 CB B:PHE146 4.4 17.3 1.0 O B:HOH491 4.4 27.0 1.0 O26 B:8M0303 4.4 36.6 0.6 O12 B:8M0303 4.5 32.5 0.6 CD2 B:LEU176 4.5 36.5 1.0 O7 B:8M0303 4.5 33.3 0.6 CA B:GLY128 4.6 63.3 1.0 O15 B:8M0303 4.7 39.7 0.6 O13 B:8M0303 4.7 34.5 0.6 O5 B:8M0303 4.7 34.5 0.6 CG B:PHE146 4.7 16.6 1.0 O B:SER147 4.7 21.2 1.0 CE1 A:HIS158 4.7 22.4 1.0 CD1 B:LEU176 4.8 44.2 1.0 O18 B:8M0303 4.8 36.7 0.6 C B:GLY127 4.8 60.7 1.0 O22 B:8M0303 4.9 37.4 0.6 CB B:ALA129 5.0 61.8 1.0

Molybdenum binding site 8 out of 144 in the Molybdenum Storage Protein - P212121, Adp, Molybdate


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 - P212121, Adp, Molybdate within 5.0Å range: probe atom residue distance (Å) B Occ B:Mo303 b:35.5 occ:0.55 MO8 B:8M0303 0.0 35.5 0.6 O22 B:8M0303 1.8 37.4 0.6 O20 B:8M0303 1.9 30.2 0.6 O16 B:8M0303 1.9 31.1 0.6 O5 B:8M0303 2.1 34.5 0.6 O25 B:8M0303 2.1 31.8 0.6 O11 B:8M0303 2.4 28.6 0.6 MO2 B:8M0303 3.3 32.7 0.6 O26 B:8M0303 3.3 36.6 0.6 O15 B:8M0303 3.4 39.7 0.6 MO5 B:8M0303 3.4 33.1 0.6 MO6 B:8M0303 3.4 37.6 0.6 MO4 B:8M0303 3.4 34.4 0.6 MO7 B:8M0303 3.5 35.1 0.6 O14 B:8M0303 3.5 33.1 0.6 O17 B:8M0303 3.6 32.7 0.6 O6 B:8M0303 3.7 35.2 0.6 O7 B:8M0303 3.7 33.3 0.6 CA B:GLY128 4.0 63.3 1.0 O3 B:8M0303 4.0 38.0 0.6 MO1 B:8M0303 4.1 35.3 0.6 N B:GLY128 4.1 60.3 1.0 O B:GLY127 4.1 67.0 1.0 C B:GLY127 4.2 60.7 1.0 O2 B:8M0303 4.2 36.5 0.6 O24 B:8M0303 4.3 26.8 0.6 O4 B:8M0303 4.3 29.2 0.6 O18 B:8M0303 4.5 36.7 0.6 O13 B:8M0303 4.7 34.5 0.6 O28 B:8M0303 4.7 30.7 0.6 O8 B:8M0303 4.7 25.6 0.6 O23 B:8M0303 4.8 37.1 0.6 O21 B:8M0303 4.8 31.8 0.6

Molybdenum binding site 9 out of 144 in the Molybdenum Storage Protein - P212121, Adp, Molybdate


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 - P212121, Adp, Molybdate within 5.0Å range: probe atom residue distance (Å) B Occ B:Mo304 b:23.4 occ:0.60 MO B:MOO304 0.0 23.4 0.6 O2 B:PO4305 1.5 16.5 0.4 O1 B:MOO304 1.7 22.0 0.6 O3 B:MOO304 1.7 14.0 0.6 O2 B:MOO304 1.7 18.1 0.6 O4 B:MOO304 1.7 27.6 0.6 O3 B:PO4305 1.8 16.6 0.4 P B:PO4305 1.9 15.1 0.4 O B:HOH405 2.7 24.9 0.6 O4 B:PO4305 2.8 27.1 0.4 O1 B:PO4305 3.2 18.4 0.4 NH1 B:ARG83 3.6 30.4 1.0 O B:HOH401 3.8 20.8 0.6 NE B:ARG168 3.8 28.8 1.0 CD B:ARG168 3.9 23.5 1.0 CB B:ALA78 3.9 17.4 1.0 CB B:ARG168 4.1 17.9 1.0 O B:HOH429 4.1 16.9 1.0 NH2 B:ARG83 4.2 21.7 1.0 OG1 B:THR169 4.3 15.7 1.0 CZ B:ARG83 4.3 28.0 1.0 N B:GLY79 4.3 17.7 1.0 OH B:TYR86 4.5 15.8 1.0 CG B:ARG168 4.5 22.2 1.0 O A:HOH426 4.6 20.6 1.0 N B:ALA78 4.6 15.9 1.0 MG B:MG302 4.6 16.9 1.0 CE2 B:TYR86 4.7 20.4 1.0 CB B:ALA82 4.7 14.7 1.0 CA B:ALA78 4.7 12.5 1.0 CG2 B:THR169 4.8 14.0 1.0 N B:THR169 4.8 15.8 1.0 CD1 A:LEU20 4.9 17.4 1.0

Molybdenum binding site 10 out of 144 in the Molybdenum Storage Protein - P212121, Adp, Molybdate


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 - P212121, Adp, Molybdate within 5.0Å range: probe atom residue distance (Å) B Occ B:Mo306 b:58.7 occ:0.70 MO1 B:LJB306 0.0 58.7 0.7 O12 B:LJB306 1.9 60.5 0.0 O11 B:LJB306 1.9 60.5 0.0 O13 B:LJB306 2.0 63.9 0.0 O25 B:LJB306 2.0 56.8 0.0 O73 B:LJB306 2.1 60.9 0.0 O14 B:LJB306 2.2 55.4 0.0 MO2 B:LJB306 3.1 54.7 0.7 O22 B:LJB306 3.1 56.1 0.0 MO7 B:LJB306 3.5 61.5 0.7 MO4 B:LJB306 3.6 68.4 0.7 O74 B:LJB306 3.9 63.3 0.0 MO8 B:LJB306 3.9 47.2 0.7 OG D:SER132 4.0 53.9 1.0 O24 B:LJB306 4.0 56.1 0.0 O21 B:LJB306 4.2 56.1 0.0 O72 B:LJB306 4.3 63.2 0.0 CG D:PRO124 4.3 26.5 1.0 CG1 D:VAL126 4.3 36.9 1.0 CG2 F:VAL134 4.5 46.5 1.0 CG D:PRO135 4.5 35.5 1.0 O71 B:LJB306 4.5 63.2 0.0 CD D:PRO135 4.6 34.6 1.0 CB D:PRO124 4.6 26.0 1.0 O23 B:LJB306 4.6 56.1 0.0 O41 B:LJB306 4.7 67.8 0.0 O53 B:LJB306 4.9 60.5 0.0

S.Brunle, M.L.Eisinger, J.Poppe, D.J.Mills, J.D.Langer, J.Vonck, U.Ermler. Molybdate Pumping Into the Molybdenum Storage Protein Via An Atp-Powered Piercing Mechanism. Proc.Natl.Acad.Sci.Usa 2019.
ISSN: ESSN 1091-6490
PubMed: 31811022
DOI: 10.1073/PNAS.1913031116