Structure of PDB 1ixp Chain A Binding Site BS01

Receptor Information
>1ixp Chain A (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 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 chain1ixp Chain A Residue 1002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB1ixp Enzyme-ligand complexes of pyridoxine 5'-phosphate synthase: implications for substrate binding and catalysis
Resolution2.3 Å
Binding residue
(original residue number in PDB)		H193 G194 G215 H216
Binding residue
(residue number reindexed from 1)		H192 G193 G214 H215
Annotation score1
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
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1ixp, PDBe:1ixp, PDBj:1ixp
PDBsum1ixp
PubMed12206776
UniProtP0A794|PDXJ_ECOLI Pyridoxine 5'-phosphate synthase (Gene Name=pdxJ)

[Back to BioLiP]