Receptor
PDB id Resolution Class Description Source Keywords
2FV0 1.91 Å EC: 3.2.1.- UGL_D88N/DGLCA-GLC-RHA-GLC BACILLUS SP. ALPHA6/ALPHA6-BARREL HYDROLASE
Ref.: SUBSTRATE RECOGNITION BY UNSATURATED GLUCURONYL HYD FROM BACILLUS SP. GL1 BIOCHEM.BIOPHYS.RES.COMMUN. V. 344 253 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BGC RAM BGC GAD A:401;
Valid;
none;
submit data
645.54 n/a O=C([...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2FV1 1.73 Å EC: 3.2.1.- UGL_D88N/DGLCA-GLCNAC BACILLUS SP. ALPHA6/ALPHA6-BARREL HYDROLASE
Ref.: SUBSTRATE RECOGNITION BY UNSATURATED GLUCURONYL HYD FROM BACILLUS SP. GL1 BIOCHEM.BIOPHYS.RES.COMMUN. V. 344 253 2006
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 15 families.
1 2FV0 - BGC RAM BGC GAD n/a n/a
2 2AHG - UCD C14 H21 N O11 CC(=O)N[C@....
3 2FV1 - GAD NDG n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 15 families.
1 2FV0 - BGC RAM BGC GAD n/a n/a
2 2AHG - UCD C14 H21 N O11 CC(=O)N[C@....
3 2FV1 - GAD NDG n/a n/a
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 2FV0 - BGC RAM BGC GAD n/a n/a
2 2AHG - UCD C14 H21 N O11 CC(=O)N[C@....
3 2FV1 - GAD NDG n/a n/a
4 3ANK - NG6 GCD n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BGC RAM BGC GAD; Similar ligands found: 23
No: Ligand ECFP6 Tc MDL keys Tc
1 BGC RAM BGC GAD 1 1
2 NAG GAD 0.494624 0.76
3 GAD NDG 0.494624 0.76
4 GCD NGA 0.494624 0.76
5 NGA GCD 0.494624 0.76
6 BGC BGC GLC 0.488095 0.846154
7 RAM GAD 0.471264 0.794872
8 BEM MAV LGU MAV 0.4375 0.775
9 MAW MAV GCU 0.4375 0.775
10 MAW LGU BEM BEM 0.4375 0.775
11 MAW BEM BEM BEM 0.4375 0.775
12 HS2 0.42268 0.72
13 BEM MAV 0.417582 0.75
14 GAL NAG GAL FUC 0.413462 0.7
15 GLA NAG GAL FUC 0.413462 0.7
16 NAG GAL GAL NAG GAL 0.411765 0.673077
17 LB2 0.409639 0.846154
18 MAN GLC 0.409639 0.846154
19 M3M 0.409639 0.846154
20 UCD 0.408163 0.74
21 ABC 0.405172 0.75
22 NG6 GCD 0.403846 0.603175
23 GCD NG6 0.403846 0.603175
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2FV1; Ligand: GAD NDG; Similar sites found: 3
This union binding pocket(no: 1) in the query (biounit: 2fv1.bio2) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3U2U UDP 0.0429 0.40067 2.28137
2 1X9D SMD 0.005045 0.42898 3.44828
3 1QM5 GLC GLC GLC PO4 SGC GLC 0.01744 0.42242 5.30504
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