Structure of PDB 3eqa Chain A Binding Site BS09

Receptor Information
>3eqa Chain A (length=458) Species: 5061 (Aspergillus niger) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
WLSNEATVARTAILNNIGADGAWVSGADSGIVVASPSTDNPDYFYTWTRD
SGLVLKTLVDLFRNGDTSLLSTIENYISAQAIVQGISNPSGDLSSGAGLG
EPKFNVDETAYTGSWGRPQRDGPALRATAMIGFGQWLLDNGYTSTATDIV
WPLVRNDLSYVAQYWNQTGYDLWEEVNGSSFFTIAVQHRALVEGSAFATA
VGSSCSWCDSQAPEILCYLQSFWTGSFILANFDSSRSGKDANTLLGSIHT
FDPEAACDDSTFQPCSPRALANHKEVVDSFRSIYTLNDGLSDSEAVAVGR
YPEDTYYNGNPWFLCTLAAAEQLYDALYQWDKQGSLEVTDVSLDFFKALY
SDAATGTYSSSSSTYSSIVDAVKTFADGFVSIVETHAASNGSMSEQYDKS
DGEQLSARDLTWSYAALLTANNRRNSVVPASWGETSASSVPGTCAATSAI
GTYSSVTV
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 chain3eqa Chain A Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3eqa Structure of the catalytic domain of glucoamylase from Aspergillus niger.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		W202 E204
Binding residue
(residue number reindexed from 1)		W173 E175
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) W144 D200 E203 E204 E424
Catalytic site (residue number reindexed from 1) W115 D171 E174 E175 E395
Enzyme Commision number 3.2.1.3: glucan 1,4-alpha-glucosidase.
Gene Ontology
Molecular Function
GO:0004339 glucan 1,4-alpha-glucosidase activity
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0005976 polysaccharide metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:3eqa, PDBe:3eqa, PDBj:3eqa
PDBsum3eqa
PubMed21301084
UniProtP69328|AMYG_ASPNG Glucoamylase (Gene Name=GLAA)

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