Receptor
PDB id Resolution Class Description Source Keywords
3LGG 2.5 Å EC: 3.5.4.4 CRYSTAL STRUCTURE OF HUMAN ADENOSINE DEAMINASE GROWTH FACTOR ADENOSINE DEAMINASE TYPE 2 (ADA2) COMPLEXED WITH TRANSITIONA NALOGUE, COFORMYCIN HOMO SAPIENS TIM BARREL DIMERIZATION AND RECEPTOR BINDING DOMAINS GLYCOHYDROLASE GROWTH FACTOR SECRETED
Ref.: STRUCTURAL BASIS FOR THE GROWTH FACTOR ACTIVITY OF ADENOSINE DEAMINASE ADA2. J.BIOL.CHEM. V. 285 12367 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CFE A:513;
B:513;
Valid;
Valid;
none;
none;
submit data
284.269 C11 H16 N4 O5 c1nc2...
NAG A:509;
A:510;
A:511;
B:509;
B:510;
B:511;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
ZN A:512;
B:512;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3LGG 2.5 Å EC: 3.5.4.4 CRYSTAL STRUCTURE OF HUMAN ADENOSINE DEAMINASE GROWTH FACTOR ADENOSINE DEAMINASE TYPE 2 (ADA2) COMPLEXED WITH TRANSITIONA NALOGUE, COFORMYCIN HOMO SAPIENS TIM BARREL DIMERIZATION AND RECEPTOR BINDING DOMAINS GLYCOHYDROLASE GROWTH FACTOR SECRETED
Ref.: STRUCTURAL BASIS FOR THE GROWTH FACTOR ACTIVITY OF ADENOSINE DEAMINASE ADA2. J.BIOL.CHEM. V. 285 12367 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3LGG - CFE C11 H16 N4 O5 c1nc2c(n1[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3LGG - CFE C11 H16 N4 O5 c1nc2c(n1[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3LGG - CFE C11 H16 N4 O5 c1nc2c(n1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CFE; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 CFE 1 1
2 MCF 0.8 0.897059
3 DCF 0.591549 0.954545
4 SNI 0.453333 0.895522
5 NOS 0.447368 0.909091
6 GMP 0.4 0.857143
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3LGG; Ligand: CFE; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 3lgg.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3LGG; Ligand: CFE; Similar sites found: 22
This union binding pocket(no: 2) in the query (biounit: 3lgg.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3RV5 DXC 0.004187 0.43635 None
2 1G2N EPH 0.006467 0.41965 1.89394
3 2Q09 DI6 0.003727 0.43106 2.16346
4 1YOK P6L 0.0211 0.40902 2.34375
5 1XON PIL 0.01213 0.41254 2.5788
6 4E90 7RG 0.011 0.40199 3.03951
7 4GBD MCF 0.00005081 0.45299 3.05677
8 3URB DPF 0.02092 0.40018 3.0581
9 4AQL TXC 0.0004758 0.46241 3.36134
10 3FSM 2NC 0.02389 0.40531 3.44828
11 4YZC STU 0.01356 0.41852 3.45679
12 5CXI 5TW 0.006974 0.4071 3.94089
13 2ARC ARA 0.01599 0.40023 4.26829
14 3QCP FAD 0.01064 0.41247 5.31915
15 4RZB NFQ 0.00009736 0.46479 5.73951
16 3IS2 FAD 0.009589 0.41743 5.84416
17 3RLF MAL 0.008232 0.41431 6.31579
18 1P1M MET 0.0008088 0.4064 6.40394
19 4WUJ FMN 0.009007 0.406 6.80272
20 5DKK FMN 0.008999 0.40602 8.27586
21 5DJT FMN 0.01183 0.40054 8.27586
22 2DYR PGV 0.009827 0.42648 16.5138
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