Structure of PDB 3f4n Chain C Binding Site BS01

Receptor Information
>3f4n Chain C (length=244) Species: 632 (Yersinia pestis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AMADLLLGVNIDHIATLRNARGTIYPDPVQAAFIAEQAGADGITVHLRED
RRHITDRDVRILRQTIQTRMNLEMAVTDEMVDIACDIKPHFCCLVPEKRQ
EVTTEGGLDVAGQVDKMTLAVGRLADVGILVSLFIDADFRQIDAAVAAGA
PYIEIHTGAYADASTVLERQAELMRIAKAATYAAGKGLKVNAGHGLTYHN
VQPIAALPEMHELNIGHAIIGQAVMTGLAAAVTDMKVLMREARR
Ligand information
Ligand IDPXP
InChIInChI=1S/C8H12NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2,10-11H,3-4H2,1H3,(H2,12,13,14)
InChIKeyWHOMFKWHIQZTHY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(CO)c1O
ACDLabs 10.04O=P(O)(O)OCc1cnc(c(O)c1CO)C
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)CO)O
FormulaC8 H12 N O6 P
NamePYRIDOXINE-5'-PHOSPHATE
ChEMBL
DrugBankDB02209
ZINCZINC000001532705
PDB chain3f4n Chain C Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3f4n Crystal Structure of Pyridoxal Phosphate Biosynthetic Protein PdxJ from Yersinia pestis
Resolution2.402 Å
Binding residue
(original residue number in PDB)		E72 F133 E153 H193 G194 N213 I214 G215 H216
Binding residue
(residue number reindexed from 1)		E73 F134 E154 H194 G195 N214 I215 G216 H217
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) N9 H12 H45 R47 R51 E72 T103 E153 H193
Catalytic site (residue number reindexed from 1) N10 H13 H46 R48 R52 E73 T104 E154 H194
Enzyme Commision number 2.6.99.2: pyridoxine 5'-phosphate synthase.
Gene Ontology
Molecular Function
GO:0016740 transferase activity
GO:0016769 transferase activity, transferring nitrogenous groups
GO:0033856 pyridoxine 5'-phosphate synthase activity
Biological Process
GO:0008615 pyridoxine biosynthetic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3f4n, PDBe:3f4n, PDBj:3f4n
PDBsum3f4n
PubMed
UniProtQ8ZCP4|PDXJ_YERPE Pyridoxine 5'-phosphate synthase (Gene Name=pdxJ)

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