Structure of PDB 5okb Chain B Binding Site BS01

Receptor Information
>5okb Chain B (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
HVQEIQRAITDGVDVLGYCAWSFTDLLSWLNGYQKRYGFVYVNRDDESEK
DLRRIKKKSFYWYQRVIETNGAEL
Ligand information
Ligand IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain5okb Chain B Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5okb Structural basis for enzyme bifunctionality - the case of Gan1D from Geobacillus stearothermophilus.
Resolution1.331 Å
Binding residue
(original residue number in PDB)		S432 K439 Y441
Binding residue
(residue number reindexed from 1)		S428 K435 Y437
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R80 H124 E170 I173 N299 Y301 E378
Catalytic site (residue number reindexed from 1) R76 H120 E166 I169 N295 Y297 E374
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5okb, PDBe:5okb, PDBj:5okb
PDBsum5okb
PubMed28975708
UniProtW8QF82

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