Structure of PDB 4e1o Chain A Binding Site BS01

Receptor Information
>4e1o Chain A (length=477) 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
FNPSKWMMVHFDCTGFWVKDKYKLQQTFSVNPIYLRHANSGVATDFMHWQ
IPLSRRFRSVKLWFVIRSFGVKNLQAHVRHGTEMAKYFESLVRNDPSFEI
PAKRHLGLVVFRLKGPNSLTENVLKEIAKAGRLFLIPATIQDKLIIRFTV
TSQFTTRDDILRDWNLIRDAATLILSQ
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 chain4e1o Chain A Residue 1000 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4e1o Structural study reveals that Ser-354 determines substrate specificity on human histidine decarboxylase
Resolution1.8 Å
Binding residue
(original residue number in PDB)		Y81 T149 V150 S151 H194 T248 D273 A275 K305
Binding residue
(residue number reindexed from 1)		Y81 T149 V150 S151 H194 T248 D273 A275 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
View graph for
Biological Process
External links
PDB RCSB:4e1o, PDBe:4e1o, PDBj:4e1o
PDBsum4e1o
PubMed22767596
UniProtP19113|DCHS_HUMAN Histidine decarboxylase (Gene Name=HDC)

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