Structure of PDB 7eix Chain B Binding Site BS01

Receptor Information
>7eix Chain B (length=464) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMEPEEYRERGREMVDYICQYLSTVRERRVTPDVQPGYLRAQLPESAPED
PDSWDSIFGDIERIIMPGVVHWQSPHMHAYYPALTSWPSLLGDMLADAIN
CLGFTWASSPACTELEMNVMDWLAKMLGLPEHFLHHHPSSQGGGVLQSTV
SESTLIALLAARKNKILEMKTSEPDADESSLNARLVAYASDQAHSSVEKA
GLISLVKMKFLPVDDNFSLRGEALQKAIEEDKQRGLVPVFVCATLGTTGV
CAFDCLSELGPICAREGLWLHIDAAYAGTAFLCPEFRGFLKGIEYADSFT
FNPSKWMMVHFDCTGFWVKDKYKLQQTFSVTDFMHWQIPLSRRFRSVKLW
FVIRSFGVKNLQAHVRHGTEMAKYFESLVRNDPSFEIPAKRHLGLVVFRL
KGPNSLTENVLKEIAKAGRLFLIPATIQDKLIIRFTVTSQFTTRDDILRD
WNLIRDAATLILSQ
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 B Residue 1000 [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 N302 K305
Binding residue
(residue number reindexed from 1)		Y81 T149 V150 S151 H194 D273 A275 N302 K305
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
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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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