Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GAD NDG A:402;
B:402;
Valid;
Valid;
none;
none;
submit data
378.31 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: GAD NDG; Similar ligands found: 38
No: Ligand ECFP6 Tc MDL keys Tc
1 NAG GAD 1 1
2 NGA GCD 1 1
3 GCD NGA 1 1
4 GAD NDG 1 1
5 UCD 0.782609 0.979592
6 NG6 GCD 0.746667 0.761905
7 GCD NG6 0.746667 0.761905
8 NGK GCD 0.692308 0.746032
9 GCD ASG 0.692308 0.746032
10 GAL A2G 0.577465 0.88
11 A2G GAL 0.577465 0.88
12 GAL NGA 0.577465 0.88
13 NAG BDP 0.552632 0.959184
14 L42 0.547619 0.707692
15 FUC NAG 0.540541 0.88
16 HS2 0.5375 0.959184
17 NAG NGA 0.533333 0.865385
18 NAG A2G 0.533333 0.865385
19 ASG BDP ASG GCD 0.529412 0.723077
20 GAL NGA A2G 0.525641 0.849057
21 GC4 NAG 0.525 0.92
22 BGC RAM BGC GAD 0.494624 0.76
23 RAM GAD 0.486842 0.632653
24 DR3 0.470588 0.862745
25 NAG GAL FUC 0.470588 0.862745
26 NAG BDP NAG BDP 0.464646 0.924528
27 BEM MAV 0.461538 0.632653
28 NAG BDP NAG BDP NAG BDP 0.460784 0.942308
29 NAG GCU NAG GCU NAG GCU 5AX 0.442105 0.903846
30 NAG BDP NAG BDP NAG BDP NAG 0.442105 0.903846
31 AMU 0.434211 0.84
32 1GN ACY GAL ACY 1GN BGC GAL BGC 0.43299 0.865385
33 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.43299 0.865385
34 MAW BEM BEM BEM 0.413793 0.62
35 MAW MAV GCU 0.413793 0.62
36 BEM MAV LGU MAV 0.413793 0.62
37 MAW LGU BEM BEM 0.413793 0.62
38 H3S 0.402174 0.661765
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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