Structure of PDB 7vl0 Chain A Binding Site BS01

Receptor Information
>7vl0 Chain A (length=706) 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
VSDKDIQFVVRENNKSRYIFFLNYHNERKTFNYRKSSKSEEISIAPFSYK
VIKENK
Ligand information
Ligand IDPNG
InChIInChI=1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9-,10+,11-,12+/m1/s1
InChIKeyIFBHRQDFSNCLOZ-ZIQFBCGOSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC[C@H]1O[C@H](Oc2ccc(cc2)[N+]([O-])=O)[C@H](O)[C@@H](O)[C@@H]1O
ACDLabs 10.04[O-][N+](=O)c2ccc(OC1OC(C(O)C(O)C1O)CO)cc2
OpenEye OEToolkits 1.5.0c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
OpenEye OEToolkits 1.5.0c1cc(ccc1[N+](=O)[O-])OC2C(C(C(C(O2)CO)O)O)O
CACTVS 3.341OC[CH]1O[CH](Oc2ccc(cc2)[N+]([O-])=O)[CH](O)[CH](O)[CH]1O
FormulaC12 H15 N O8
Name4-nitrophenyl alpha-D-glucopyranoside;
4'-NITROPHENYL-ALPHA-D-GLUCOPYRANOSIDE;
4-nitrophenyl alpha-D-glucoside;
4-nitrophenyl D-glucoside;
4-nitrophenyl glucoside
ChEMBLCHEMBL1235365
DrugBank
ZINCZINC000004282228
PDB chain7vl0 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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PDB7vl0 Characterization and structural analyses of a novel glycosyltransferase acting on the beta-1,2-glucosidic linkages.
Resolution1.79 Å
Binding residue
(original residue number in PDB)		L100 Q106 E176 V179 F180 L183 P277 G278 W279 I280 R349
Binding residue
(residue number reindexed from 1)		L95 Q101 E171 V174 F175 L178 P272 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:7vl0, PDBe:7vl0, PDBj:7vl0
PDBsum7vl0
PubMed35065074
UniProtI0AIT9

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