Structure of PDB 3m1h Chain C Binding Site BS01

Receptor Information
>3m1h Chain C (length=170) Species: 242619 (Porphyromonas gingivalis W83) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSAEVLNEDFENGIPASWKTIDADGDGNNWTTTPPPGGSSFAGHNSAICV
SSASYINFEGPQNPDNYLVTPELSLPGGGTLTFWVCAQDANYASEHYAVY
ASSTGNDASNFANALLEEVLTEAIRGTRAQGTWYQKTVQLPAGTKYVAFR
HFGCTDFFWINLDDVVITSG
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 chain3m1h Chain C Residue 2001 [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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PDB3m1h The modular structure of haemagglutinin/adhesin regions in gingipains of Porphyromonas gingivalis.
Resolution1.56 Å
Binding residue
(original residue number in PDB)		D1446 D1448 D1450 N1452 N1490
Binding residue
(residue number reindexed from 1)		D22 D24 D26 N28 N66
Annotation score4
Enzymatic activity
Enzyme Commision number 3.4.22.47: gingipain K.
External links
PDB RCSB:3m1h, PDBe:3m1h, PDBj:3m1h
PDBsum3m1h
PubMed21812842
UniProtQ51817|KGP83_PORGN Lys-gingipain W83 (Gene Name=kgp)

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