Structure of PDB 1f5j Chain B Binding Site BS01

Receptor Information
>1f5j Chain B (length=199) Species: 14 (Dictyoglomus thermophilum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ALTSNASGTFDGYYYELWKDTGNTTMTVYTQGRFSCQWSNINNALFRTGK
KYNQNWQSLGTIRITYSATYNPNGNSYLCIYGWSTNPLVEFYIVESWGNW
RPPGATSLGQVTIDGGTYDIYRTTRVNQPSIVGTATFDQYWSVRTSKRTS
GTVTVTDHFRAWANRGLNLGTIDQITLCVEGYQSSGSANITQNTFSQSS
Ligand information
Ligand IDSO4
InChIInChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
InChIKeyQAOWNCQODCNURD-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0[O-]S(=O)(=O)[O-]
CACTVS 3.341[O-][S]([O-])(=O)=O
ACDLabs 10.04[O-]S([O-])(=O)=O
FormulaO4 S
NameSULFATE ION
ChEMBL
DrugBankDB14546
ZINC
PDB chain1f5j Chain B Residue 1002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1f5j Structure of XynB, a highly thermostable beta-1,4-xylanase from Dictyoglomus thermophilum Rt46B.1, at 1.8 A resolution.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		G109 Q110 R165
Binding residue
(residue number reindexed from 1)		G109 Q110 R165
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) N43 Y81 E90 Y92 E180
Catalytic site (residue number reindexed from 1) N43 Y81 E90 Y92 E180
Enzyme Commision number 3.2.1.8: endo-1,4-beta-xylanase.
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:1f5j, PDBe:1f5j, PDBj:1f5j
PDBsum1f5j
PubMed11053833
UniProtP77853

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