Structure of PDB 4b9c Chain A Binding Site BS01

Receptor Information
>4b9c 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]
GSHMGLKIQYYSRKPHDSAGIDFSFRMFNTGNEAIDLKDVKVRYYFKEDV
SIDEMNWAVYFYSLGSEKDVQCRFYELPGKKEANKYLEITFKSGTLSPND
VMYITGEFYKNDWTKFEQRDDYSYNPADSYSDWKRMTAYISNKLVWGIEP
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 chain4b9c Chain A Residue 1151 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4b9c Fine-Structural Variance of Family 3 Carbohydrate-Binding Modules as Extracellular Biomass-Sensing Components of Clostridium Thermocellum Anti-Sigma(I) Factors.
Resolution1.171 Å
Binding residue
(original residue number in PDB)		K47 E117 D120 D121
Binding residue
(residue number reindexed from 1)		K47 E117 D120 D121
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:4b9c, PDBe:4b9c, PDBj:4b9c
PDBsum4b9c
PubMed24531486
UniProtA3DBH1|RSGI1_ACET2 Anti-sigma-I factor RsgI1 (Gene Name=rsgI1)

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