Structure of PDB 7xin Chain C Binding Site BS01

Receptor Information
>7xin Chain C (length=470) Species: 286 (Pseudomonas) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATPEQFRQYGHQLIDLIADYRQTVGERPVMAQVEPGYLKAALPATAPQQG
EPFAAILDDVNNLVMPGLSHWQHPDFYGYFPSNGTLSSVLGDFLSTGLGV
LGLSWQSSPALSELEETTLDWLRQLLGLSGQWSGVIQDTASTSTLVALIS
ARERATDYALVRGGLQAEPKPLIVYVSAHAHSSVDKAALLAGFGRDNIRL
IPTDERYALRPEALQAAIEQDLAAGNQPCAVVATTGTTTTTALDPLRPVG
EIAQANGLWLHVDSAMAGSAMILPECRWMWDGIELADSVVVNAHKWLGVA
FDCSIYYVRDPQHLIRVMSTNPSYLQSAKNLRDWGIPLGRRFRALKLWFM
LRSEGVDALQARLRRDLDNAQWLAGQVEAAAEWEVLAPVQLQTLCIRHRP
AGLEGEALDAHTKGWAERLNASGAAYVTPATLDGRWMVRVSIGALPTERG
DVQRLWARLQDVIKGLEHHH
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 chain7xin Chain C Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7xin Crystal structure of DODC from Pseudomonas
Resolution2.0 Å
Binding residue
(original residue number in PDB)		F80 T139 A140 S141 H181 T238 D263 A265 N292 K295
Binding residue
(residue number reindexed from 1)		F80 T139 A140 S141 H181 T238 D263 A265 N292 K295
Annotation score1
Enzymatic activity
Enzyme Commision number 4.1.1.28: aromatic-L-amino-acid decarboxylase.
Gene Ontology
Molecular Function
GO:0004058 aromatic-L-amino-acid decarboxylase activity
GO:0016829 lyase activity
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
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7xin, PDBe:7xin, PDBj:7xin
PDBsum7xin
PubMed
UniProtQ88JU5

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