Structure of PDB 6m55 Chain A Binding Site BS02

Receptor Information
>6m55 Chain A (length=542) Species: 5445 (Hamamotoa singularis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GTAELDALWNLVEAQYPVQTAAVTTLVTVPDDYKFEADPPSYALAGYETS
EIAGLKFPKGFKFGVAGAAIQVEGAAKAEGRGPSTWDYLCHHYASTQCNN
YDPDITTNHYYLYPLDFARLQHLGINTYSFSISWTRIYPLGAGYVNEAGL
AHYDAVIHSAKKYGLEPVGTVFHWDTPLSLMLKYGAWQDTGDQIVKDFVT
YATTVFKRYGNEVKTWFTFNEPRVFCSQNSGLPYNLTYPEGINSTSAVFR
CTYNVLKAHGHAVKVYRDLVASGTIAAGEIGFKSDDNYPIPARPGNADDE
ESAKRHEAFRIGIFAQPVYGNGDYPDVVKETVGDMLPALTDEDKGYIKGS
GDIFAIDGYRTDISHAALNGIANCIRNQSDPNWPVCEEGSDPFAHVYPSG
FAIGQSADPLSSWLVNSAPFIRDQLKFLTQTYPAKGGIYFSAFGWAEDAE
YDRQLLYQITWDGLRTQYLTDYLSQLLLAVHKDGINLRGALTWSFVDNWE
WGLGMQQKFGFQFVNQSDPDLTRTFKLSAHAYAQFGRNHLHH
Ligand information
Ligand IDGAL
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-FPRJBGLDSA-N
SMILES
SoftwareSMILES
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
OpenEye OEToolkits 1.7.2C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
OpenEye OEToolkits 1.7.2C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
FormulaC6 H12 O6
Namebeta-D-galactopyranose;
beta-D-galactose;
D-galactose;
galactose
ChEMBLCHEMBL300520
DrugBank
ZINCZINC000002597049
PDB chain6m55 Chain C Residue 3 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB6m55 Crystal structure of a GH1 beta-glucosidase from Hamamotoa singularis.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		E275 Y413 W467 E554 F563
Binding residue
(residue number reindexed from 1)		E221 Y359 W413 E500 F509
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0008422 beta-glucosidase activity
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6m55, PDBe:6m55, PDBj:6m55
PDBsum6m55
PubMed32713015
UniProtQ564N5

[Back to BioLiP]