Structure of PDB 3jqj Chain F Binding Site BS01

Receptor Information
>3jqj Chain F (length=147) Species: 300852 (Thermus thermophilus HB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RPRMVDVTEKPETFRTATAEAFVELTEEALSALEKGGVGKGDPLVVAQLA
GILAAKKTADLIPLCHPLPLTGVEVRVELLKAEKRVRIEATVKTKAETGV
EMEAMTACAVAALTVYDMLKAASKGLVISQVRLLHKAGGKSGEWRRE
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 chain3jqj Chain F Residue 166 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3jqj Structures of apo and GTP-bound molybdenum cofactor biosynthesis protein MoaC from Thermus thermophilus HB8
Resolution1.9 Å
Binding residue
(original residue number in PDB)		D126 K129
Binding residue
(residue number reindexed from 1)		D117 K120
Annotation score1
Enzymatic activity
Enzyme Commision number 4.6.1.17: cyclic pyranopterin monophosphate synthase.
Gene Ontology
Molecular Function
GO:0005525 GTP binding
GO:0016829 lyase activity
GO:0061799 cyclic pyranopterin monophosphate synthase activity
Biological Process
GO:0006777 Mo-molybdopterin cofactor biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:3jqj, PDBe:3jqj, PDBj:3jqj
PDBsum3jqj
PubMed20606263
UniProtQ5SHE1

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