Structure of PDB 2bfg Chain A Binding Site BS01

Receptor Information
>2bfg Chain A (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
TWLFEVWNAPNLVNFWKDANKQEYFKLYEVTARAVKSVDPHLQVGGPAIC
GGSDEWITDFLHFCAERRVPVDFVSRHAYTSKAPHKKTFEYYYQELEPPE
DMLEQFKTVRALIRQSPFPHLPLHITEYNTSYSPINPVHDTALNAAYIAR
ILSEGGDYVDSFSYWTFSDVFEEMDVPKALFHGGFGLVALHSIPKPTFHA
FTFFNALGDELLYRDGEMIVTRRKDGSIAAVLWNLVMEKGEGLTKEVQLV
IPVSESAVFIKRQIVNEQYGNAWRVWKQMGRPRFPSRQAVETLRQVAQPH
VMTEQRRATDGVIHLSIVLSKNEVTLIEIEQVRDETSTYVGLDDGEITSY
S
Ligand information
Ligand IDANX
InChIInChI=1S/C6H4N2O5/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3,9H
InChIKeyUWEZBKLLMKVIPI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=[N+]([O-])c1ccc(cc1O)[N+]([O-])=O
CACTVS 3.341Oc1cc(ccc1[N+]([O-])=O)[N+]([O-])=O
OpenEye OEToolkits 1.5.0c1cc(c(cc1[N+](=O)[O-])O)[N+](=O)[O-]
FormulaC6 H4 N2 O5
Name2,5-DINITROPHENOL
ChEMBLCHEMBL107513
DrugBank
ZINCZINC000003876088
PDB chain2bfg Chain A Residue 1504 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2bfg Enzyme-Substrate Complex Structures of a Gh39 Beta-Xylosidase from Geobacillus Stearothermophilus.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		L163 F166 C201 Y283
Binding residue
(residue number reindexed from 1)		L162 F165 C200 Y282
Annotation score1
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2bfg, PDBe:2bfg, PDBj:2bfg
PDBsum2bfg
PubMed16212978
UniProtQ9ZFM2|XYNB_GEOSE Beta-xylosidase (Gene Name=xynB)

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