Structure of PDB 5k39 Chain B Binding Site BS01

Receptor Information
>5k39 Chain B (length=153) Species: 1249482 (Acetivibrio thermocellus 27405) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DKTTVSGYISVDFDYPPESESKIKSGFNVKVAGTELSTKTDEKGYFEISG
IPGDMREFTLEISKRNYLKRNVTVNGTGKLVVSTEDNPLILWAGDVERKG
VQDNAINMVDVMEISKVFGTRAGDEEYVAELDLNMDGAINLFDIAIVIRH
FNA
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 chain5k39 Chain B Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5k39 Diverse specificity of cellulosome attachment to the bacterial cell surface.
Resolution1.98 Å
Binding residue
(original residue number in PDB)		D101 D109 A111 D116
Binding residue
(residue number reindexed from 1)		D95 D103 A105 D110
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
Biological Process
GO:0000272 polysaccharide catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:5k39, PDBe:5k39, PDBj:5k39
PDBsum5k39
PubMed27924829
UniProtA3DGE8

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