Structure of PDB 8u7j Chain L Binding Site BS01

Receptor Information
>8u7j Chain L (length=267) Species: 418127 (Staphylococcus aureus subsp. aureus Mu3) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SKIIGSDRVKRGMAEMQKGGVIMDVVNAEQARIAEEAGAVAVMALERAGG
VARMANPKIVEEVMNAVSIPVMAKARIGHITEARVLEAMGVDYIDESEVL
TPADEEYHLRKDQFTVPFVCGCRNLGEAARRIGEGAAMLRTKGEPGTGNI
VEAVRHMRQVNSEVSRLTVMNDDEIMTFAKDIGAPYEILKQIKDNGRLPV
VNFAAGGVATPQDAALMMELGADGVFVGSGIFKSEDPEKFAKAIVQATTH
YQDYELIGRLASELGTA
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 chain8u7j Chain L Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8u7j Structure and dynamics of the staphylococcal pyridoxal 5-phosphate synthase complex reveal transient interactions at the enzyme interface.
Resolution3.02 Å
Binding residue
(original residue number in PDB)		H116 R138 R139
Binding residue
(residue number reindexed from 1)		H108 R130 R131
Annotation score1
Gene Ontology
Molecular Function
GO:0016829 lyase activity
GO:0016843 amine-lyase activity
GO:0036381 pyridoxal 5'-phosphate synthase (glutamine hydrolysing) activity
Biological Process
GO:0006520 amino acid metabolic process
GO:0008615 pyridoxine biosynthetic process
GO:0042823 pyridoxal phosphate biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:8u7j, PDBe:8u7j, PDBj:8u7j
PDBsum8u7j
PubMed38782204
UniProtA7WYT1|PDXS_STAA1 Pyridoxal 5'-phosphate synthase subunit PdxS (Gene Name=pdxS)

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