Structure of PDB 7jrl Chain A Binding Site BS01

Receptor Information
>7jrl Chain A (length=457) Species: 195103 (Clostridium perfringens ATCC 13124) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KPIIKGENLAYSMDEKVDLMKGITATDIEDGNITSKVQIKSSDFVEGKSG
IFTVVYSVTDSDGLTSECSRTIAVTDKETQLSDLNWKSATIGSGSVRKDR
AVSGNQIRLLNEDNSVETFAKGIGTHSYSEIVYNSEGYDIFDTWVGIDRH
VADKKVSSVKFKVYVDGELKAETDVMRIDTPKKRLVVDVRNSKEIKLVVD
VADNGNNWDHADWADAKFRNLAEYDASELNKAIEEAKKLDLNNYTEESSE
ALKNAISKGEEALLSKDKETINSALEELNKEMNSLVKVDLNAVINIPDKY
LLKSIQNQLNKTGDITLGDMYSLTTLTLSGVEDLTGLENAKNLETLNMDY
NEVKDLRPLSKLKKLNTLNAQEQFIAAGELKPSNGKVIGDSKVYNREGKN
VAKTIRVVDKNGNTILEQDAKDEFTINTKDLSSGLYGVHVLFEDEGFSGV
MFYLFNV
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 chain7jrl Chain A Residue 1701 [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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PDB7jrl Architecturally complex O -glycopeptidases are customized for mucin recognition and hydrolysis.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		S1388 V1431 D1433 G1435 D1439
Binding residue
(residue number reindexed from 1)		S158 V201 D203 G205 D209
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links