Structure of PDB 6h8b Chain A Binding Site BS01

Receptor Information

>6h8b Chain A (length=245) Species: 354 (Azotobacter vinelandii)

KRPIRLLPWLQVVKIGGRVMDRGADAILPLVEELRKLLPEHRLLILTGAG
VRARHVFSVGLDLGLPVGSLAPLAASEAGQNGHILAAMLASEGVSYVEHP
TVADQLAIHLSATRAVVGSAFPPYHHHEFPGSRIPPHRADTGAFLLADAF
GAAGLTIVENVDGIYTADPNGPDRGQARFLPETSATDLAKSEGPLPVDRA
LLDVMATARHIERVQVVNGLVPGRLTAALRGEHVGTLIRTGVRPA

Ligand information

• Ligand ID: J7T
• InChI: InChI=1S/9Mo.18H2O.13O/h;;;;;;;;;18*1H2;;;;;;;;;;;;;/q2*+1;5*+2;2*+3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-18
• InChIKey: OPVBNKHERKYGEI-UHFFFAOYSA-A
• SMILES:
  OpenEye OEToolkits 2.0.7: [O][Mo]([O])([O])O[Mo]12(O[Mo]34(O1[Mo]567(O2[Mo]89(O5[Mo]1(O8)(O[Mo]2(O1[Mo]1(O63[Mo](O12)(O4)(O7)([O])[O])(O9)[O])([O])([O])[O])([O])[O])([O])[O])[O])([O])[O])([O])[O]
  CACTVS 3.385: O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Mo]O[Mo]1O[Mo]2O[Mo]3O[Mo]4(O1)O[Mo]56O[Mo](O[Mo]7O[Mo](O7)(O5)O6)[O]234
• Formula: Mo9 O31
• Name: molybdate cluster
• PDB chain: 6h8b Chain B Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6h8b The molybdenum storage protein - A bionanolab for creating experimentally alterable polyoxomolybdate clusters.
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): H156 H157 H158
• Binding residue (residue number reindexed from 1): H125 H126 H127
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0030151 molybdenum ion binding
• GO:0045735 nutrient reservoir activity
• GO:0046872 metal ion binding

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:6h8b, PDBe:6h8b, PDBj:6h8b
• PDBsum: 6h8b
• PubMed: 30278367
• UniProt: P84308|MOSA_AZOVD Molybdenum storage protein subunit alpha (Gene Name=mosA)