Structure of PDB 7vl3 Chain A Binding Site BS01

Receptor Information
>7vl3 Chain A (length=707) Species: 945713 (Ignavibacterium album JCM 16511) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SEKYFVKNGQPHFLISGEVHYFRINPKLWRNHLQLLKQTGADTVSTYIPW
DWHEIEEDDFDFEGKTHPARNLIRFIKLCKEENLDLIVKPGPYILAEYEN
QGLPSWLLKKLSKNAFALDENGNVISPDLVSYLSDEFLEYTFKWYDKVMP
IISKHQKEHYGPITMMQLCNEIGVFQWLSGKSDYNPKVINLYKEFIIQRY
KTIEKLNSVYSTNYNSFDDLKAPSGKIKLRSDYCAYFDFHLFFREYYNKY
ISILKNKIRSFGINIKLTHNIPGWIYGNASELPMLISTYSEIMKNHPDII
FGLDHIPEFVSFRNAHSDLACNKILEAMQPEAPVWAAEFQAGTREHHVKA
YAKDLETFYIASLAHGIKGFNYYMFSQGINPEGKGFYGKTFYFQTALDAA
SNKLALYDSIKKVNRFIRKEQKDLLRTNVNSEICVGFYKPYFFTELISSQ
LLKEKKLNVEELGLYIDPRFLREEILFNGLLRGLQTLNYNYDVVDLENCD
LKSLTAYKQLWITSAEFMDAETQNLLSEFVLNGGNLILYPAVPTLDNYLN
RCEILKNNFGIEFITKDSSHKVSAFGIEDVFTAFSKKQIYNDTNSKPIAF
TQENEICGIRKKIGKGELTILGFAFGYTSDEHLELIDKLVKLNKIKRELF
VSDKDIQFVVRENNKSRYIFFLNYHNERKTFNYRKSSEKSEEISIAPFSY
KVIKENK
Ligand information
Ligand ID7OL
InChIInChI=1S/C12H16O6/c13-6-8-9(14)10(15)11(16)12(18-8)17-7-4-2-1-3-5-7/h1-5,8-16H,6H2/t8-,9-,10+,11-,12+/m1/s1
InChIKeyNEZJDVYDSZTRFS-ZIQFBCGOSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
OpenEye OEToolkits 2.0.7c1ccc(cc1)OC2C(C(C(C(O2)CO)O)O)O
CACTVS 3.385OC[C@H]1O[C@H](Oc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O
CACTVS 3.385OC[CH]1O[CH](Oc2ccccc2)[CH](O)[CH](O)[CH]1O
FormulaC12 H16 O6
Name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-phenoxy-oxane-3,4,5-triol
ChEMBLCHEMBL4104653
DrugBank
ZINCZINC000006116014
PDB chain7vl3 Chain A Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7vl3 Characterization and structural analyses of a novel glycosyltransferase acting on the beta-1,2-glucosidic linkages.
Resolution1.82 Å
Binding residue
(original residue number in PDB)		E176 W182 L183 G278 W279 I280 R349
Binding residue
(residue number reindexed from 1)		E171 W177 L178 G273 W274 I275 R344
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0004565 beta-galactosidase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process
Cellular Component
GO:0005773 vacuole

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7vl3, PDBe:7vl3, PDBj:7vl3
PDBsum7vl3
PubMed35065074
UniProtI0AIT9

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