Structure of PDB 7eix Chain A Binding Site BS01

Receptor Information
>7eix 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
NPSKWMMVHFDCTGFWVKDKYKLQQTFSVNPVATDFMHWQIPLSRRFRSV
KLWFVIRSFGVKNLQAHVRHGTEMAKYFESLVRNDPSFEIPAKRHLGLVV
FRLKGPNSLTENVLKEIAKAGRLFLIPATIQDKLIIRFTVTSQFTTRDDI
LRDWNLIRDAATLILSQ
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 chain7eix 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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PDB7eix Structural analysis of the HDC Y334F mutant
Resolution1.9 Å
Binding residue
(original residue number in PDB)		Y81 T149 V150 S151 H194 D273 A275 K305
Binding residue
(residue number reindexed from 1)		Y80 T148 V149 S150 H193 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

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Molecular Function
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Biological Process
External links
PDB RCSB:7eix, PDBe:7eix, PDBj:7eix
PDBsum7eix
PubMed
UniProtP19113|DCHS_HUMAN Histidine decarboxylase (Gene Name=HDC)

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