Structure of PDB 7eiy Chain A Binding Site BS01

Receptor Information
>7eiy Chain A (length=467) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MEPEEYRERGREMVDYICQYLSTVRERRVTPDVQPGYLRAQLPESAPEDP
DSWDSIFGDIERIIMPGVVHWQSPHMHAYYPALTSWPSLLGDMLADAINC
LGFTWASSPACTELEMNVMDWLAKMLGLPEHFLHHHPSSQGGGVLQSTVS
ESTLIALLAARKNKILEMKTSEPDADESSLNARLVAYASDQAHSSVEKAG
LISLVKMKFLPVDDNFSLRGEALQKAIEEDKQRGLVPVFVCATLGTTGVC
AFDCLSELGPICAREGLWLHIDAAYAGTAFLCPEFRGFLKGIEYADSFTF
NPSKWMMVHFDCTGFWVKDKYKLQQTFSVNPGVATDFMHWQIPLSRRFRS
VKLWFVIRSFGVKNLQAHVRHGTEMAKYFESLVRNDPSFEIPAKRHLGLV
VFRLKGPNSLTENVLKEIAKAGRLFLIPATIQDKLIIRFTVTSQFTTRDD
ILRDWNLIRDAATLILS
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 chain7eiy Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7eiy Structural analysis of the HDC Y334F mutant
Resolution2.2 Å
Binding residue
(original residue number in PDB)		Y81 T149 V150 S151 H194 T248 D273 A275 K305
Binding residue
(residue number reindexed from 1)		Y80 T148 V149 S150 H193 T247 D272 A274 K304
Annotation score1
Enzymatic activity
Enzyme Commision number 4.1.1.22: histidine decarboxylase.
Gene Ontology
Molecular Function
GO:0016830 carbon-carbon lyase activity
GO:0016831 carboxy-lyase activity
GO:0030170 pyridoxal phosphate binding
Biological Process
GO:0006520 amino acid metabolic process
GO:0019752 carboxylic acid metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7eiy, PDBe:7eiy, PDBj:7eiy
PDBsum7eiy
PubMed
UniProtP19113|DCHS_HUMAN Histidine decarboxylase (Gene Name=HDC)

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