Structure of PDB 3qom Chain A Binding Site BS02

Receptor Information
>3qom Chain A (length=479) Species: 1590 (Lactiplantibacillus plantarum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AMTIKGRAFPEGFLWGGAVAAHQLEGGYKEGGKGLSTADIMTLGTNERPR
EITDGVVAGKYYPNHQAIDFYHRYPEDIELFAEMGFKCFRTSIAWTRIFP
NGDESEPNEAGLQFYDDLFDECLKNGIQPVVTLAHFEMPYHLVKQYGGWR
NRKLIQFYLNFAKVCFERYRDKVTYWMTFNEINNQTNFESDGAMLTDSGI
IHQPGENRERWMYQAAHYELVASAAAVQLGHQINPDFQIGCMIAMCPIYP
LTAAPADVLFAQRAMQTRFYFADVHCNGTYPQWLRNRFESEHFNLDITAE
DLKILQAGTVDYIGFSYYMSFTVKDTGKLAYNEEHDLVKNPYVKASDWGW
QVDPVGLRYAMNWFTDRYHLPLFIVENGLGAIDKKTADNQIHDDYRIDYL
TDHLRQIKLAVLEDGVDLIGYTPWGCIDLVAASTGQMSKRYGFIYVDEND
DGSGSLKRYKKDSFTWFQHVIATNGAEIE
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 chain3qom Chain A Residue 480 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3qom GH1-family 6-P-beta-glucosidases from human microbiome lactic acid bacteria.
Resolution1.498 Å
Binding residue
(original residue number in PDB)		W349 A430 A431 S432 K438 Y440
Binding residue
(residue number reindexed from 1)		W350 A431 A432 S433 K439 Y441
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R89 H134 E180 N183 S315 Y317 E375
Catalytic site (residue number reindexed from 1) R90 H135 E181 N184 S316 Y318 E376
Enzyme Commision number 3.2.1.86: 6-phospho-beta-glucosidase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0008422 beta-glucosidase activity
GO:0008706 6-phospho-beta-glucosidase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
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:3qom, PDBe:3qom, PDBj:3qom
PDBsum3qom
PubMed23519420
UniProtF9UU25

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