Structure of PDB 8pxv Chain B Binding Site BS01

Receptor Information
>8pxv Chain B (length=634) Species: 239935 (Akkermansia muciniphila) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QEQIIPKPAEITLFTGSPARLTPDSLIITETQDKAFLDQAGQLQQMLSAG
TGLPLPLKPAGQASKKAACIVIKKDPALAARGEEAYSIQSSPSGIILSAA
DARGIFYAGQSLVQMMPSVFHDRTGDKSAVRWNISETPFRITDYPRFSWR
ALMIDEARHFFGEKTIKQIIDQMALLKMNILHWHLTDDTGWRIEIKKYPR
LTSIGSKRRESEIGTWNSGKSDGTPHEGFYTQEQIRDIVQYAARRNITIV
PEIEMPGHASAAAVAYPFLSLKTPGEVPTTFIVNTAFDPTSEKTYAFLSD
VLDEVTAIFPGRIIHIGGDEVRYDKQWKGVPEIEEFMKKNGMKSYADVQM
HFTNRMSGIIAQKGRRMMGWNEIYGAKLDTNAVIQFWKGNTSLAKNAIRD
GHDVINSLHTSTYLDYSYGSIPLQKAYGFEPVFPGLEKQYHSRVKGLGAQ
VWTEWISTPERLHYQAFPRACAFAEVGWTPAGKKDFPDFKKRLKAYSERM
DLMGIKFARNVISQIDKSDFFNTPRIGTWTPATLTREEHSFDVTKLVKAS
GKHTVTLLYDKGAHAIEIESVALYENSREVSRDAHAGRSGAHKENIQYIL
NAPAPRQGATYTVKANFKGAGGRDSHGTVYFETP
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 chain8pxv Chain E Residue 2 [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]
PDB8pxv Towards automated crystallographic structure refinement with phenix.refine.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		R159 D428 W465 E467
Binding residue
(residue number reindexed from 1)		R158 D415 W452 E454
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.52: beta-N-acetylhexosaminidase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0004563 beta-N-acetylhexosaminidase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0030203 glycosaminoglycan metabolic process
Cellular Component
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8pxv, PDBe:8pxv, PDBj:8pxv
PDBsum8pxv
PubMed38684911
UniProtB2UN02

[Back to BioLiP]