Structure of PDB 6rke Chain J Binding Site BS04

Receptor Information
>6rke Chain J (length=267) Species: 322710 (Azotobacter vinelandii DJ) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
STAELEELLMQRSLTDPQLQAAAAAAADFRILPDATVIKIGGQSVIDRGR
AAVYPLVDEIVAARKNHKLLIGTGAGTRARHLYSIAAGLGLPAGVLAQLG
SSVADQNAAMLGQLLAKHGIPVVGGAGLSAVPLSLAEVNAVVFSGMPPYK
LWMRPAAEGVIPPYRTDAGCFLLAEQFGCKQMIFVKDEDGLYTANPKTSK
DATFIPRISVDEMKAKGLHDSILEFPVLDLLQSAQHVREVQVVNGLVPGN
LTRALAGEHVGTIITAS
Ligand information
Ligand IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain6rke Chain J Residue 305 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6rke Molybdate pumping into the molybdenum storage protein via an ATP-powered piercing mechanism.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		R83 Y86 R168 T169
Binding residue
(residue number reindexed from 1)		R80 Y83 R165 T166
Annotation score3
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0030151 molybdenum ion binding
GO:0045735 nutrient reservoir activity
GO:0046872 metal ion binding
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:6rke, PDBe:6rke, PDBj:6rke
PDBsum6rke
PubMed31811022
UniProtP84253|MOSB_AZOVD Molybdenum storage protein subunit beta (Gene Name=mosB)

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