Structure of PDB 6b7k Chain A Binding Site BS01

Receptor Information
>6b7k Chain A (length=290) Species: 279010 (Bacillus licheniformis DSM 13 = ATCC 14580) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FWDTKGDNFIHDPSIIKEGNTWYTFGTGLGTGLRVIKSTDGRNWSAAPSI
FPTPLSWWKMYVPNHEPHQWAPDISYYNGRYWLYYSVSSFGSNTSAIGLA
STDRISSGQWRDDGLVIRSTSGDQFNAIDPDLVIDKDGNPWLSFGSFWSG
IKLTRLDKNTMKPTGSLYSIASRPNNGGAVEAPNITYKDGYYYLFVSFDS
CCKGVDSTYKIAYGRSTSITGPYYDKSGKNMMNGGGTILDSGNDRWKGPG
HQDVLNNSILVRHAYDALDNGVSKLLINDLYWDSQGWPTY
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 chain6b7k Chain A Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6b7k GH43 endo-arabinanase from Bacillus licheniformis: Structure, activity and unexpected synergistic effect on cellulose enzymatic hydrolysis.
Resolution2.55 Å
Binding residue
(original residue number in PDB)		D74 D132 D254
Binding residue
(residue number reindexed from 1)		D73 D131 D253
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.99: arabinan endo-1,5-alpha-L-arabinosidase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0046558 arabinan endo-1,5-alpha-L-arabinosidase activity
Biological Process
GO:0005975 carbohydrate metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:6b7k, PDBe:6b7k, PDBj:6b7k
PDBsum6b7k
PubMed29800670
UniProtQ65GB9

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