Structure of PDB 7jnd Chain A Binding Site BS02

Receptor Information
>7jnd Chain A (length=387) Species: 195103 (Clostridium perfringens ATCC 13124) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HQARVSKFDLYNSDKLDAYNQEFQVSRSNIKSINNNGGKYNSSTIDKAID
GNLETHWETGKPNDANFTNEVVVTFNEITNIDRIVYSARRDSARGKGFAK
EFEIYASLKDEGDDFNLVSSGEYTESTRDLVEIKFNPTDFKRLKFKFKKA
DQNWASAAEFMFYKEDKLNEKFNGLFTDSSMNKVSEEFNTLEKLNAFENE
LKDHPIYDLYKEGLNNARAILTETSENPTKATLGQITYNLNDDYNNQYRM
PYKNIKAIKNNGRHYAAQNIEKAIDNDVNTYWETGTLNSSSFNNEVEVEF
NDLVTLDRIVYGSRQSDLKGFAEEVYIYASRTSKGDTYKLVATGAHEATK
GLVEAKFEPTEFKRVKFKFKKSKQNSATLNELMFYKP
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 chain7jnd Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7jnd Architecturally complex O -glycopeptidases are customized for mucin recognition and hydrolysis.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		K318 D321 D323 T326 N426 E427
Binding residue
(residue number reindexed from 1)		K272 D275 D277 T280 N380 E381
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links