Structure of PDB 3mkk Chain B Binding Site BS02

Receptor Information
>3mkk Chain B (length=664) Species: 411459 (Blautia obeum ATCC 29174) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AMIRKYRYGAPFDTEALTEKIETAEEAFPYGEISQKEGFAFTYIMDEDDI
VYGLGESNRGINKRGYCYISNCTDDPIHTEDKRSLYGAHNFIIVSGKTTF
GLFFDYPSKLTFDIGYTRMDTLKVSCENADLDIYVIEGENAYDIVKQFRR
VIGRSYIPPKFAFGFGQSRWGYTTKEDFRAVAKGYRENHIPIDMIYMDID
YMQDFKDFTVNEKNFPDFPEFVKEMKDQELRLIPIIDAGVKVEKGYEVYE
EGVKNNYFCKREDGSDFVAAVWPGDTHFPDMLNPEARKWFGDKYRFLIDQ
GIEGFWNAMNEPAIFYSSEGLAEAKEFAGEFAKDTEGKIHPWAMQAKMKD
IVNSPEDYKRFYHNVNGKKIRHDKVHNLFGYNMTRAAGEAFERIDPEKRF
LMFSRSSYIGMHRYGGIWMGDNKSWWSHILLNLKMLPSLNMCGFMYTGAD
LGGFGDDTTRDLLLRFLALGVFTPLMRDHAAEGTREQECYQFENIEDFRS
VINARYRLVPYLYSEYMKAALNDDMYFKPLGFVYPDDKMAIRVEDQLMLG
NEIMIAPVYEQNARGRYVYLPEEMKFIKFMPDGSISEEVLEKGVHYVDVA
LNEVPLFIRSGKCIPVAEAAECVKDIDTENMQLIGYEGSSYTLYEDDGIH
KDYDKKENYRVLTK
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 chain3mkk Chain C Residue 2 [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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PDB3mkk The Crystal Structures Of The Glycoside Hydrolase (Family 31) From Ruminococcus Obeum Atcc 29174
Resolution1.91 Å
Binding residue
(original residue number in PDB)		W169 D197 I198 R404 W417 D420 F453 H478
Binding residue
(residue number reindexed from 1)		W170 D198 I199 R405 W418 D421 F454 H479
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.-
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0030246 carbohydrate binding
Biological Process
GO:0005975 carbohydrate metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3mkk, PDBe:3mkk, PDBj:3mkk
PDBsum3mkk
PubMed20581222
UniProtA5ZY13

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