Structure of PDB 6gpa Chain A Binding Site BS01

Receptor Information
>6gpa Chain A (length=314) Species: 226186 (Bacteroides thetaiotaomicron VPI-5482) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VVKEEGFARGADVSWLTQMEAEGLKFYTPDENRQEMECMDLLRDYCGVNS
IRLRVWVNPKDGWNNMNDVIVKAKRAERLGLRTMIDFHFSDTWADPGHQE
MPEAWKELSFDDLKIALSEHVKSVLTALKAVGVTPEWVQVGNETTPGMML
PVGSVDNPEQLTALNNAGYDAVKAICPDAKVIVHLDAGNDQWVYNRMFDI
LQANGGKYDMIGMSLYPYWAEQEGKTGGWLKVADDCIANIKHVKQKYNKP
VMICEIGMPYDQAEACKQLITKMMQADVEGIFYWEPQAPNGYNDGYNLGC
FDNNAPTIALDAFK
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 chain6gpa Chain A Residue 401 [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]
PDB6gpa Structural and functional characterization of a family GH53 beta-1,4-galactanase from Bacteroides thetaiotaomicron that facilitates degradation of prebiotic galactooligosaccharides.
Resolution1.79 Å
Binding residue
(original residue number in PDB)		W52 W130 D132 D331
Binding residue
(residue number reindexed from 1)		W15 W93 D95 D294
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.89: arabinogalactan endo-beta-1,4-galactanase.
Gene Ontology
Molecular Function
GO:0015926 glucosidase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0031218 arabinogalactan endo-1,4-beta-galactosidase activity
Biological Process
GO:0045490 pectin catabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6gpa, PDBe:6gpa, PDBj:6gpa
PDBsum6gpa
PubMed30553858
UniProtQ89YR3

[Back to BioLiP]