Structure of PDB 1w8g Chain A Binding Site BS01

Receptor Information
>1w8g Chain A (length=226) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DIAHNLAQVRDKISAAATRCGRSPEEITLLAVSKTKPASAIAEAIDAGQR
QFGENYVQEGVDKIRHFQELGVTGLEWHFIGPLQSNKSRLVAEHFDWCHT
IDRLRIATRLNDQRPAELPPLNVLIQINISDENSKSGIQLAELDELAAAV
AELPRLRLRGLMAIPAPESEYVRQFEVARQMAVAFAGLKTRYPHIDTLSL
GMSDDMEAAIAAGSTMVRIGTAIFGA
Ligand information
Ligand IDPLP
InChIInChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)
InChIKeyNGVDGCNFYWLIFO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(C=O)c1O
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O
ACDLabs 10.04O=P(O)(O)OCc1cnc(c(O)c1C=O)C
FormulaC8 H10 N O6 P
NamePYRIDOXAL-5'-PHOSPHATE;
VITAMIN B6 Phosphate
ChEMBLCHEMBL82202
DrugBankDB00114
ZINCZINC000001532514
PDB chain1w8g Chain A Residue 1229 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1w8g Crystal Structure of E. Coli K-12 Yggs
Resolution2.0 Å
Binding residue
(original residue number in PDB)		V34 K36 N57 I82 M204 R220 G222 T223
Binding residue
(residue number reindexed from 1)		V32 K34 N55 I80 M202 R218 G220 T221
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0030170 pyridoxal phosphate binding
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Cellular Component
External links
PDB RCSB:1w8g, PDBe:1w8g, PDBj:1w8g
PDBsum1w8g
PubMed
UniProtP67080|PLPHP_ECOLI Pyridoxal phosphate homeostasis protein (Gene Name=yggS)

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