Structure of PDB 1ixo Chain B Binding Site BS01

Receptor Information
>1ixo Chain B (length=235) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AELLLGVNIDHIATLRNARGTAYPDPVQAAFIAEQAGADGITVHLREDRR
HITDRDVRILRQTLDTRMNLEMAVTEEMLAIAVETKPHFCCLVPEEGGLD
VAGQRDKMRDACKRLADAGIQVSLFIDADEEQIKAAAEVGAPFIEIHTGC
YADAKTDAEQAQELARIAKAATFAASLGLKVNAGHGLTYHNVKAIAAIPE
MHELNIGHAIIGRAVMTGLKDAVAEMKRLMLEARG
Ligand information
Ligand IDG3P
InChIInChI=1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)/t3-/m1/s1
InChIKeyAWUCVROLDVIAJX-GSVOUGTGSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C(COP(=O)(O)O)O)O
CACTVS 3.385OC[C@@H](O)CO[P](O)(O)=O
ACDLabs 12.01O=P(OCC(O)CO)(O)O
OpenEye OEToolkits 1.7.6C([C@H](COP(=O)(O)O)O)O
CACTVS 3.385OC[CH](O)CO[P](O)(O)=O
FormulaC3 H9 O6 P
NameSN-GLYCEROL-3-PHOSPHATE
ChEMBLCHEMBL1232920
DrugBankDB02515
ZINCZINC000003830896
PDB chain1ixo Chain B 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]
PDB1ixo Enzyme-ligand complexes of pyridoxine 5'-phosphate synthase: implications for substrate binding and catalysis
Resolution2.3 Å
Binding residue
(original residue number in PDB)		N9 E72 H193 N213 I214 G215 H216
Binding residue
(residue number reindexed from 1)		N8 E71 H185 N205 I206 G207 H208
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) N9 H12 H45 R47 R51 E72 E153 H193
Catalytic site (residue number reindexed from 1) N8 H11 H44 R46 R50 E71 E145 H185
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:1ixo, PDBe:1ixo, PDBj:1ixo
PDBsum1ixo
PubMed12206776
UniProtP0A794|PDXJ_ECOLI Pyridoxine 5'-phosphate synthase (Gene Name=pdxJ)

[Back to BioLiP]