Structure of PDB 1gvi Chain A Binding Site BS02

Receptor Information
>1gvi Chain A (length=588) Species: 275 (Thermus sp.) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRKEAIHHRSTDNFAYAYDSETLHLRLQTKKNDVDHVELLFGDPYEWHDG
AWQFQTMPMRKTGSDGLFDYWLAEVKPPYRRLRYGFVLRAGGEKLVYTEK
GFYHEAPSDDTAYYFCFPFLHRVDLFQAPDWVKDTVWYQIFPERFANGNP
AISPKGARPWGSEDPTPTSFFGGDLQGIIDHLDYLADLGITGIYLTPIFR
APSNHKYDTADYFEIDPHFGDKETLKTLVKRCHEKGIRVMLDAVFNHCGY
EFAPFQDVLKNGAASRYKDWFHIREFPLQTEPRPNYDTFAFVPHMPKLNT
AHPEVKRYLLDVATYWIREFDIDGWRLDVANEIDHQFWREFRQAVKALKP
DVYILGLIWHDAMPWLRGDQFDAVMNYPLADAALRFFAKEDMSASEFADR
LMHVLHSYPKQVNEAAFNLLGSHDTPRLLTVCGGDVRKVKLLFLFQLTFT
GSPCIYYGDEIGMTGGNDPECRKCMVWDPEKQNKELYEHVKQLIALRKQY
RALRRGDVAFLTADDEVNHLVYAKTDGNETVMIIINRSNEAAEIPMPIDA
RGKWLVNLLTGERFAAEAETLCVSLPPYGFVLYAVESW
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 chain1gvi Chain C Residue 4 [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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PDB1gvi Cyclomaltodextrinase, Neopullulanase, and Maltogenic Amylase are Nearly Indistinguishable from Each Other
Resolution3.3 Å
Binding residue
(original residue number in PDB)		Y207 H247 F289 D328 H423 D424
Binding residue
(residue number reindexed from 1)		Y207 H247 F289 D328 H423 D424
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D242 R326 D328 L357 H423 D424
Catalytic site (residue number reindexed from 1) D242 R326 D328 L357 H423 D424
Enzyme Commision number ?
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:1gvi, PDBe:1gvi, PDBj:1gvi
PDBsum1gvi
PubMed11923309
UniProtO69007

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