Structure of PDB 3zu8 Chain A Binding Site BS01

Receptor Information
>3zu8 Chain A (length=153) Species: 35830 (Acetivibrio cellulolyticus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSHMNLKVEFFNAGTQAQSNSIYPKFRLTNTGSNAINLADVKLHYYFTVD
GDKAQTFWCDWSPVGSSNVTGTFVKMNPTTTGADQYLEIAFSSAAGTLAA
NTSIEVQGRFAKSDWTNYNQADDYSFNSSATTYTSWDKVTAYSAEGLIWG
IEP
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 chain3zu8 Chain A Residue 1154 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3zu8 Structure of Cbm3B of the Major Scaffoldin Subunit Scaa from Acetivibrio Cellulolyticus
Resolution1.801 Å
Binding residue
(original residue number in PDB)		T48 D50 N119 D122 D123
Binding residue
(residue number reindexed from 1)		T48 D50 N119 D122 D123
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.4: cellulase.
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:3zu8, PDBe:3zu8, PDBj:3zu8
PDBsum3zu8
PubMed22232162
UniProtQ9RPL0

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