Structure of PDB 3km5 Chain B Binding Site BS01

Receptor Information
>3km5 Chain B (length=173) Species: 242619 (Porphyromonas gingivalis W83) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ADFTETFESSTHGEAPAEWTTIDADGDGQGWLCLSSGQLDWLTAHGGSNV
VSSFSWNGMALNPDNYLISKDVTGATKVKYYYAVNDGFPGDHYAVMISKT
GTNAGDFTVVFEETPNGINKGGARFGLSTEAKPQSVWIERTVDLPAGTKY
VAFRHYNCSDLNYILLDDIQFTM
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain3km5 Chain B Residue 2011 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3km5 Structure determination and analysis of a haemolytic gingipain adhesin domain from Porphyromonas gingivalis
Resolution1.4 Å
Binding residue
(original residue number in PDB)		D1179 D1181 D1183 Q1185 N1221
Binding residue
(residue number reindexed from 1)		D23 D25 D27 Q29 N65
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:3km5, PDBe:3km5, PDBj:3km5
PDBsum3km5
PubMed20233299
UniProtP59915|HAGA1_PORGI Hemagglutinin A (Gene Name=hagA)

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