Structure of PDB 1ixn Chain C Binding Site BS01

Receptor Information
>1ixn Chain C (length=242) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AELLLGVNIDHIATLRNARGTAYPDPVQAAFIAEQAGADGITVHLREDRR
HITDRDVRILRQTLDTRMNLEMAVTEEMLAIAVETKPHFCCLVPEKRQEV
TTEGGLDVAGQRDKMRDACKRLADAGIQVSLFIDADEEQIKAAAEVGAPF
IEIHTGCYADAKTDAEQAQELARIAKAATFAASLGLKVNAGHGLTYHNVK
AIAAIPEMHELNIGHAIIGRAVMTGLKDAVAEMKRLMLEARG
Ligand information
Ligand IDDXP
InChIInChI=1S/C5H11O7P/c1-3(6)5(8)4(7)2-12-13(9,10)11/h4-5,7-8H,2H2,1H3,(H2,9,10,11)/t4-,5-/m1/s1
InChIKeyAJPADPZSRRUGHI-RFZPGFLSSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(=O)[C@H]([C@@H](COP(=O)(O)O)O)O
OpenEye OEToolkits 1.5.0CC(=O)C(C(COP(=O)(O)O)O)O
CACTVS 3.341CC(=O)[CH](O)[CH](O)CO[P](O)(O)=O
CACTVS 3.341CC(=O)[C@@H](O)[C@H](O)CO[P](O)(O)=O
ACDLabs 10.04O=P(O)(O)OCC(O)C(O)C(=O)C
FormulaC5 H11 O7 P
Name1-DEOXY-D-XYLULOSE-5-PHOSPHATE
ChEMBLCHEMBL1232414
DrugBankDB02496
ZINC
PDB chain1ixn Chain C Residue 2003 [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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PDB1ixn Enzyme-ligand complexes of pyridoxine 5'-phosphate synthase: implications for substrate binding and catalysis
Resolution2.3 Å
Binding residue
(original residue number in PDB)		D11 H12 H45 R47 H52 E72 T102 T103 F133 H193
Binding residue
(residue number reindexed from 1)		D10 H11 H44 R46 H51 E71 T101 T102 F132 H192
Annotation score5
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) N8 H11 H44 R46 R50 E71 T102 E152 H192
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
GO:0042802 identical protein binding
Biological Process
GO:0008615 pyridoxine biosynthetic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

View graph for
Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1ixn, PDBe:1ixn, PDBj:1ixn
PDBsum1ixn
PubMed12206776
UniProtP0A794|PDXJ_ECOLI Pyridoxine 5'-phosphate synthase (Gene Name=pdxJ)

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