Structure of PDB 6sl4 Chain A Binding Site BS01

Receptor Information
>6sl4 Chain A (length=150) Species: 203119 (Acetivibrio thermocellus ATCC 27405) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MIITVQYKNGDSTSSVTAIYPIFKITNNGDTSVKLSDIIIRYYYTKEGNE
NETFWCNEFTRDGSQVYGTFVKMSKPKENADHYLEIGFYDKAGSLKPGES
VELKVGFAKNGWTKYNQFNDYSYNRVNNRFINWDHITVYLSGKLVYGKEP
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 chain6sl4 Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6sl4 The unique CBM-Cthe_0271 of Ruminiclostridium thermocellum
Resolution1.8 Å
Binding residue
(original residue number in PDB)		T65 E67 N136 N139 D140
Binding residue
(residue number reindexed from 1)		T45 E47 N116 N119 D120
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0030246 carbohydrate binding
GO:0030248 cellulose binding
Biological Process
GO:0005975 carbohydrate metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:6sl4, PDBe:6sl4, PDBj:6sl4
PDBsum6sl4
PubMed
UniProtA3DC31

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