Structure of PDB 5o5w Chain A Binding Site BS04

Receptor Information

>5o5w Chain A (length=244) Species: 322710 (Azotobacter vinelandii DJ)

RPIRLLPWLQVVKIGGRVMDRGADAILPLVEELRKLLPEHRLLILTGAGV
RARHVFSVGLDLGLPVGSLAPLAASEAGQNGHILAAMLASEGVSYVEHPT
VADQLAIHLSATRAVVGSAFPPYHHHEFPGSRIPPHRADTGAFLLADAFG
AAGLTIVENVDGIYTADPNGPDRGQARFLPETSATDLAKSEGPLPVDRAL
LDVMATARHIERVQVVNGLVPGRLTAALRGEHVGTLIRTGVRPA

Ligand information

• Ligand ID: 8M0
• InChI: InChI=1S/8Mo.28O/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;8*-1
• InChIKey: GSOSAILZTJNYOK-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 1.7.6: [O-][Mo]12(=O)(=O)O[Mo]34(=O)(O1[Mo]567(O2[Mo]89(=O)(O51[Mo]2(=O)(O8)(O[Mo]5(=O)(=O)(O2[Mo]11(O36[Mo](=O)(O51)(O4)(O7)[O-])(O9)[O-])[O-])[O-])[O-])[O-])[O-]
  CACTVS 3.385: [O-][Mo]|123(=O)O[Mo]|45([O-])(=O)O[Mo]678([O-])O|1[Mo]([O-])(=O)(=O)(O2)|O6[Mo]9%10([O-])(=O)O[Mo]%11%12([O-])(O|4[Mo]|%13([O-])(=O)(=O)O[Mo]([O-])(=O)(O%11|%13)(O9)[O]7%10%12)[O]358
  OpenEye OEToolkits 1.7.6: [O-][Mo]12(=O)(=O)O[Mo]34(=O)([O@@]1[Mo]567([O@]2[Mo]89(=O)(O51[Mo]2(=O)(O8)(O[Mo]5(=O)(=O)([O@@]2[Mo]11(O36[Mo](=O)([O@]51)(O4)(O7)[O-])(O9)[O-])[O-])[O-])[O-])[O-])[O-]
• Formula: Mo8 O28
• Name: bis(mu4-oxo)-tetrakis(mu3-oxo)-hexakis(mu2-oxo)-hexadecaoxo-octamolybdenum (VI);
  Octamolybdate [Mo(VI)8O28]8-
• PDB chain: 5o5w Chain B Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5o5w Serial millisecond crystallography for routine room-temperature structure determination at synchrotrons.
• Resolution: 1.7 Å
• Binding residue (original residue number in PDB): H156 H157 H158
• Binding residue (residue number reindexed from 1): H124 H125 H126
• Annotation score: 1

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:5o5w, PDBe:5o5w, PDBj:5o5w
• PDBsum: 5o5w
• PubMed: 28912485
• UniProt: P84308|MOSA_AZOVD Molybdenum storage protein subunit alpha (Gene Name=mosA)