Structure of PDB 2vr5 Chain A Binding Site BS02

Receptor Information
>2vr5 Chain A (length=715) Species: 2287 (Saccharolobus solfataricus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FFRTRDRPLRPGDPYPLGSNWIEDDDGVNFSLFSENAEKVELLLYSLTNQ
KYPKEIIEVKNKTGDIWHVFVPGLRPGQLYAYRVYGPYKPELGLRFNPNK
VLIDPYAKAINGSVIWNDAVFGYKIGDQNQDLTYDERDSGEYVPKSVVIN
PYFEWDDEDFIKGKKVPLKDTVIYEVHVKGFTKLRLDLPENIRGTYEGLA
SEQMISYLKDLGITTVELMPVFHFIDQRFLTDKGLTNYWGYDPINFFSPE
CRYSSTGCLGGQVLSFKKMVNELHNAGIEVIIDVVYNHTAEGNHLGPTLS
FRGIDNTAYYMLQPDNKRYYLDFTGTGNTLNLSHPRVIQMVLDSLRYWVT
EMHVDGFRFDLAAALARELYSVNMLNTFFIALQQDPILSQVKLIAEPWDV
GQGGYQVGNFPYQWAEWNGKYRDSIRRFWRGEALPYSEIANRLLGSPDIY
LGNNKTPFASINYVTSHDGFTLEDLVSYNQKHNEANGFNNQDGMNENYSW
NCGAEGPTNDQNVVICREKQKRNFMITLLVSQGTPMILGGDELSRTQRGN
NNAFCQDNEITWFDWNLDERKSKFLEFVKKMIQFYRAHPAFRRERYFQGK
KLFGMPLKDVTFYTLEGREVDEKTWSSPTQLVIFVLEGSVMDEINMYGER
IADDSFLIILNANPNNVKVKFPKGKWELVISSYLREIKPEERIIEGEKEL
EIEGRTALVYRRIEL
Ligand information
Ligand IDGLC
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1
InChIKeyWQZGKKKJIJFFOK-DVKNGEFBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-glucopyranose;
alpha-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL423707
DrugBank
ZINCZINC000003861213
PDB chain2vr5 Chain A Residue 1720 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2vr5 Structural Insight Into the Bifunctional Mechanism of the Glycogen-Debranching Enzyme Trex from the Archaeon Sulfolobus Solfataricus.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		W401 V403 Y408
Binding residue
(residue number reindexed from 1)		W398 V400 Y405
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) S116 H226 F227 E253 D363 E399 D471
Catalytic site (residue number reindexed from 1) S113 H223 F224 E250 D360 E396 D468
Enzyme Commision number 3.2.1.-
Gene Ontology
Molecular Function
GO:0004133 glycogen debranching enzyme activity
GO:0004177 aminopeptidase activity
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0005980 glycogen catabolic process

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2vr5, PDBe:2vr5, PDBj:2vr5
PDBsum2vr5
PubMed18703518
UniProtP95868

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