Structure of PDB 2bs9 Chain H Binding Site BS01

Receptor Information
>2bs9 Chain H (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 H 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 E323 E324
Binding residue
(residue number reindexed from 1)		R25 W116 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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