Structure of PDB 6a0l Chain A Binding Site BS01

Receptor Information
>6a0l Chain A (length=437) Species: 1665 (Arthrobacter globiformis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PDWLADAVFYQIFPERFANADPSLDPQNVVPWGSTPTPDNFFGGDLQGII
DHLDHIVALGANALYLTPIFEADTNHRYDAKDYFSIDHRLGTLETFHALM
AECRARGIRIVLDAVLNHCGDGHWAFADVVENEADSAYVNWFSVEGFPVT
AHPTPNYRTCSGCYYLPKWNAYNPEVRHHHLDVARYWIDQGIDGWRLDVP
YFINHTFWREFRTAVKGKSEDLYIVAEEWRSPVEWLQGDTADGTMNYTAR
DLILGFTADGGIDASALAAGLNALHAEIPAGFHRGMLNLLGSHDTERVLT
RHAGDVEAALLSYALLFSLEGAPMVYYGDEVGLTGDNDPGCRGAMPWNEE
SWNTRLLDGIRTFAAFRAHQPAMRRGRQTAVALDADTIAIVRSGERAAVI
VHRGEGTTVDTASIPELAPLDADTVVLGPLGTASLAT
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 chain6a0l Chain B Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6a0l Structural features of a bacterial cyclic alpha-maltosyl-(1→6)-maltose (CMM) hydrolase critical for CMM recognition and hydrolysis.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		Y81 H121 D201 E230 H296 D297
Binding residue
(residue number reindexed from 1)		Y78 H118 D198 E227 H293 D294
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D116 R199 D201 E230 H296 D297
Catalytic site (residue number reindexed from 1) D113 R196 D198 E227 H293 D294
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6a0l, PDBe:6a0l, PDBj:6a0l
PDBsum6a0l
PubMed30181215
UniProtD2YYE1

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