Structure of PDB 8b80 Chain A Binding Site BS01

Receptor Information
>8b80 Chain A (length=474) Species: 1422 (Geobacillus stearothermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HLKPFPPEFLWGAASAAYQVEGAWNEDGKGLSVWDVFAKQPGRTFKGTNG
DVAVDHYHRYQEDVALMAEMGLKAYRFSVSWSRVFPDGNGAVNEKGLDFY
DRLIEELRNHGIEPIVTLYHWDVPQALMDAYGAWESRRIIDDFDRYAVTL
FQRFGDRVKYWVTLNEQNIFISFGYRLGLHPPGVKDMKRMYEANHIANLA
NAKVIQSFRHYVPDGKIGPSFAYSPMYPYDSRPENVLAFENAEEFQNHWW
MDVYAWGMYPQAAWNYLESQGLEPTVAPGDWELLQAAKPDFMGVNYYQTT
TVEHNPPDGVGEGVMNTTGKKGTSTSSGIPGLFKTVRNPHVDTTNWDWAI
DPVGLRIGLRRIANRYQLPILITENGLGEFDTLEPGDIVNDDYRIDYLRR
HVQEIQRAITDGVDVLGYCAWSFTDLLSALNGYQKRYGFVYVNRDDESEK
DLRRIKKKSFYWYQRVIETNGAEL
Ligand information
Ligand IDBGP
InChIInChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3+,4+,5-,6-/m1/s1
InChIKeyNBSCHQHZLSJFNQ-FPRJBGLDSA-N
SMILES
SoftwareSMILES
CACTVS 3.341O[CH]1O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341O[C@@H]1O[C@H](CO[P](O)(O)=O)[C@H](O)[C@H](O)[C@H]1O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)OP(=O)(O)O
ACDLabs 10.04O=P(O)(O)OCC1OC(O)C(O)C(O)C1O
FormulaC6 H13 O9 P
Name6-O-phosphono-beta-D-galactopyranose;
BETA-GALACTOSE-6-PHOSPHATE;
6-O-phosphono-beta-D-galactose;
6-O-phosphono-D-galactose;
6-O-phosphono-galactose
ChEMBL
DrugBankDB02312
ZINCZINC000004095545
PDB chain8b80 Chain A Residue 504 [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]
PDB8b80 The structure of Gan1D W433A in complex with galactose-6P
Resolution1.78 Å
Binding residue
(original residue number in PDB)		Q23 H124 W125 E170 Y301 E378 W425 S432 K439 Y441
Binding residue
(residue number reindexed from 1)		Q19 H120 W121 E166 Y297 E374 W421 S428 K435 Y437
Annotation score5
Enzymatic activity
Enzyme Commision number 3.2.1.85: 6-phospho-beta-galactosidase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0008422 beta-glucosidase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0033920 6-phospho-beta-galactosidase activity
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0016052 carbohydrate catabolic process
Cellular Component
GO:0005829 cytosol

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8b80, PDBe:8b80, PDBj:8b80
PDBsum8b80
PubMed
UniProtW8QF82

[Back to BioLiP]