Structure of PDB 6a0k Chain B Binding Site BS02

Receptor Information
>6a0k Chain B (length=442) Species: 1665 (Arthrobacter globiformis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TAPDWLADAVFYQIFPERFANADPSLDPQNVVPWGSTPTPDNFFGGDLQG
IIDHLDHIVALGANALYLTPIFEADTNHRYDAKDYFSIDHRLGTLETFHA
LMAECRARGIRIVLDAVLNHCGDGHWAFADVVENEADSAYVNWFSVEGFP
VTAHPTPNYRTCSGCYYLPKWNAYNPEVRHHHLDVARYWIDQGIDGWRLD
VPYFINHTFWREFRTAVKGKSEDLYIVAEEWRSPVEWLQGDTADGTMNYT
ARDLILGFTADGGIDASALAAGLNALHAEIPAGFHRGMLNLLGSHDTERV
LTRHAGDVEAALLSYALLFSLEGAPMVYYGDEVGLTGDNDPGCRGAMPWN
EESWNTRLLDGIRTFAAFRAHQPAMRRGRQTAVALDADTIAIVRSGGDER
AAVIVHRGEGTTVDTASIPELAPLDADTVVLGPLGTASLATA
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 chain6a0k Chain C Residue 2 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6a0k Structural features of a bacterial cyclic alpha-maltosyl-(1→6)-maltose (CMM) hydrolase critical for CMM recognition and hydrolysis.
Resolution1.94 Å
Binding residue
(original residue number in PDB)		H79 Y81 D341 R345
Binding residue
(residue number reindexed from 1)		H78 Y80 D340 R344
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D116 R199 D201 E230 H296 D297
Catalytic site (residue number reindexed from 1) D115 R198 D200 E229 H295 D296
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:6a0k, PDBe:6a0k, PDBj:6a0k
PDBsum6a0k
PubMed30181215
UniProtD2YYE1

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