Structure of PDB 1bg4 Chain A Binding Site BS01

Receptor Information
>1bg4 Chain A (length=302) Species: 69488 (Penicillium simplicissimum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QASVSIDAKFKAHGKKYLGTIGDQYTLTKNTKNPAIIKADFGQLTPENSM
KWDATEPNRGQFTFSGSDYLVNFAQSNGKLIRGHTLVWHSQLPGWVSSIT
DKNTLISVLKNHITTVMTRYKGKIYAWDVLNEIFNEDGSLRNSVFYNVIG
EDYVRIAFETARSVDPNAKLYINDYNLDSAGYSKVNGMVSHVKKWLAAGI
PIDGIGSQTHLGAGAGSAVAGALNALASAGTKEIAITELDIAGASSTDYV
NVVNACLNQAKCVGITVWGVADPDSWRSSSSPLLFDGNYNPKAAYNAIAN
AL
Ligand information
Ligand IDGOL
InChIInChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2
InChIKeyPEDCQBHIVMGVHV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(C(CO)O)O
ACDLabs 12.01
CACTVS 3.370		OCC(O)CO
FormulaC3 H8 O3
NameGLYCEROL;
GLYCERIN;
PROPANE-1,2,3-TRIOL
ChEMBLCHEMBL692
DrugBankDB09462
ZINCZINC000000895048
PDB chain1bg4 Chain A Residue 625 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1bg4 Structure of the xylanase from Penicillium simplicissimum.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		D68 N72 R119 Y120 K123
Binding residue
(residue number reindexed from 1)		D68 N72 R119 Y120 K123
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E132 N173 H210 E238 D240
Catalytic site (residue number reindexed from 1) E132 N173 H210 E238 D240
Enzyme Commision number 3.2.1.8: endo-1,4-beta-xylanase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0031176 endo-1,4-beta-xylanase activity
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0045493 xylan catabolic process
Cellular Component
GO:0005576 extracellular region

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Biological Process
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Cellular Component
External links
PDB RCSB:1bg4, PDBe:1bg4, PDBj:1bg4
PDBsum1bg4
PubMed9792094
UniProtP56588|XYNA_PENSI Endo-1,4-beta-xylanase

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