Structure of PDB 2vcb Chain A Binding Site BS02

Receptor Information
>2vcb Chain A (length=882) Species: 1502 (Clostridium perfringens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GVEITEGVTVTAKGNTEGNTADLAIDGDLSTYWESSNDYKWIEVDLGGIY
ELSKIEIFNKDEAVYKYNIYASEDGENFNKIAYKNNDNVSDSNGNMHTID
NVRAGKIRIDVVQNSNSDRVNIAEINVFGKNTGESLPEKKIATSNFSETP
WATEYEKFNSDSAYANEKTLNEIKNLVGRVIGREFKDKFIFEIRDQLNGN
DVFEVSDSGDGKVLIKGNNGVSLASGFNYYLKNYCNVSYNPIMGSNLKMP
ETMPSVGERVVIDTPYEHRYALNFCTYSYTMSFWDWDQYEEFLDWCAMNG
VNLVLDIIGQEEVLRRTLNEFGYSDEEVKEFISGPAYFAWFYMQNMTGFG
GPLPNDWFEQRAELGRKMHDRMQSFGINPVLQGYSGMVPRDFKEKNQEAQ
TISQGGWCGFDRPDMLKTYVNEGEADYFQKVADVFYEKQKEVFGDVTNFY
GVDPFHEGGNTGDLDNGKIYEIIQNKMIEHDNDAVWVIQNWQGNPSNNKL
EGLTKKDQAMVLDLFSEVSPDWNRLEERDLPWIWNMLHNFGGRMGMDAAP
EKLATEIPKALANSEHMVGIGITPEAINTNPLAYELLFDMAWTRDQINFR
TWTEDYIERRYGKTNKEILEAWNIILDTAYKKRNDYYQGAAESIINARPG
FGIKSASTWGHSKIVYDKSEFEKAIEIFAKNYDEFKDSDAFLYDFADILK
QLLANSAQEYYEVMCNAYNNGNGEKFKFVSGKFLELIKLQERVLSTRPEF
LIGNWIEDARTMLKDSDDWTKDLFEFNARALVTTWGSRNNADGGGLKDYS
NRQWSGLTEDYYYARWEKWINGLQAELDGAKAPNIDWFKMEYDWVNKKSD
TDKLYPTEASNENLGELAKIAMESYSVTNMDK
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 chain2vcb Chain A Residue 1912 [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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PDB2vcb Structural and Mechanistic Insight Into the Basis of Mucopolysaccharidosis Iiib.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		L48 D51 D53 T56 A148 E149
Binding residue
(residue number reindexed from 1)		L23 D26 D28 T31 A123 E124
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.50: alpha-N-acetylglucosaminidase.
External links