Structure of PDB 2bs9 Chain C Binding Site BS01

Receptor Information
>2bs9 Chain C (length=501) Species: 1422 (Geobacillus stearothermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GVVNVPSNGREKFKKNWKFCVGTGRLGLALQKEYLDHLKLVQEKIGFRYI
RGHGLLSDDVGIYREVEIDGEMKPFYNFTYIDRIVDSYLALNIRPFIEFG
FMPKALASGDQTVFYWKGNVTPPKDYNKWRDLIVAVVSHFIERYGIEEVR
TWLFEVWNEPNLVNFWKDANKQEYFKLYEVTARAVKSVDPHLQVGGPAIC
GGSDEWITDFLHFCAERRVPVDFVSRHAYTSKAPHKKTFEYYYQELEPPE
DMLEQFKTVRALIRQSPFPHLPLHITEYNTSYSPINPVHDTALNAAYIAR
ILSEGGDYVDSFSYWTFSDVFEEMDVPKALFHGGFGLVALHSIPKPTFHA
FTFFNALGDELLYRDGEMIVTRRKDGSIAAVLWNLVMEKGEGLTKEVQLV
IPVSESAVFIKRQIVNEQYGNAWRVWKQMGRPRFPSRQAVETLRQVAQPH
VMTEQRRATDGVIHLSIVLSKNEVTLIEIEQVRDETSTYVGLDDGEITSY
S
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 chain2bs9 Chain C Residue 1503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2bs9 Enzyme-Substrate Complex Structures of a Gh39 Beta-Xylosidase from Geobacillus Stearothermophilus.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		R26 W117 F322 E323 E324
Binding residue
(residue number reindexed from 1)		R25 W116 F321 E322 E323
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.37: xylan 1,4-beta-xylosidase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
Biological Process
GO:0005975 carbohydrate metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:2bs9, PDBe:2bs9, PDBj:2bs9
PDBsum2bs9
PubMed16212978
UniProtQ9ZFM2|XYNB_GEOSE Beta-xylosidase (Gene Name=xynB)

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