Structure of PDB 4ytg Chain A Binding Site BS03

Receptor Information
>4ytg Chain A (length=417) Species: 242619 (Porphyromonas gingivalis W83) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AFQETNPPAGPVRAIAEYERSAAVLVRYPFGIPMELIKELAKNDKVITIV
ASESQKNTVITQYTQSGVNLSNCDFIIAKTDSYWTRDYTGWFAMYDTNKV
GLVDFIYNRPRPNDDEFPKYEAQYLGIEMFGMKLKQTGGNYMTDGYGSAV
QSHIAYTENSSLSQAQVNQKMKDYLGITHHDVVQDPNGEYINHVDCWGKY
LAPNKILIRKVPDNHPQHQALEDMAAYFAAQTCAWGTKYEVYRALATNEQ
PYTNSLILNNRVFVPVNGPASVDNDALNVYKTAMPGYEIIGVKGASGTPW
LGTDALHARTHEVADKGYLYIKHYPILGEQDYKIEADVVSCANATISPVQ
CYYRINGSGSFKAADMTMESTGHYTYSFTGLNKNDKVEYYISAADNSGRK
ETYPFIGEPDPFKFTCM
Ligand information
Ligand IDAZI
InChIInChI=1S/N3/c1-3-2/q-1
InChIKeyIVRMZWNICZWHMI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[N-]=[N+]=[N-]
FormulaN3
NameAZIDE ION
ChEMBLCHEMBL79455
DrugBank
ZINC
PDB chain4ytg Chain A Residue 512 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4ytg Structure and mechanism of a bacterial host-protein citrullinating virulence factor, Porphyromonas gingivalis peptidylarginine deiminase.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		K248 E283 D456
Binding residue
(residue number reindexed from 1)		K205 E240 D410
Annotation score1
Enzymatic activity
Enzyme Commision number 3.5.3.-
Gene Ontology
Molecular Function
GO:0004668 protein-arginine deiminase activity
Biological Process
GO:0009446 putrescine biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:4ytg, PDBe:4ytg, PDBj:4ytg
PDBsum4ytg
PubMed26132828
UniProtQ9RQJ2|PAD_PORGI Peptidylarginine deiminase (Gene Name=PG_1424)

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