Structure of PDB 7jnd Chain A Binding Site BS01

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 501 [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)		K93 D96 N98 T101 A204 E205
Binding residue
(residue number reindexed from 1)		K47 D50 N52 T55 A158 E159
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links