Structure of PDB 6d5b Chain A Binding Site BS01

Receptor Information
>6d5b Chain A (length=153) Species: 1387557 (Caldicellulosiruptor danielii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SGQIKVLYANKETNSTTNTIRPWLKVVNTGSSSIDLSRVTIRYWYTVDGD
RAQSAISDWAQIGASNVTFKFVKLSSSVSGADYYLEIGFKSGAGQLQPGK
DTGEIQIRFNKSDWSNYNQGNDWSWLQSMTSYGENVKVTAYIDGVLVWGQ
EPS
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 chain6d5b 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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PDB6d5b Novel multidomain, multifunctional glycoside hydrolases from highly lignocellulolytic Caldicellulosiruptor species
Resolution2.0 Å
Binding residue
(original residue number in PDB)		T61 D63 N133 N136 D137
Binding residue
(residue number reindexed from 1)		T46 D48 N118 N121 D122
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.-
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:6d5b, PDBe:6d5b, PDBj:6d5b
PDBsum6d5b
PubMed
UniProtA0A4V8GZQ7

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