Receptor
PDB id Resolution Class Description Source Keywords
1VQ2 2.2 Å EC: 3.5.4.12 CRYSTAL STRUCTURE OF T4-BACTERIOPHAGE DEOXYCYTIDYLATE DEAMIN MUTANT R115E ENTEROBACTERIA PHAGE T4 HYDROLASE
Ref.: THREE-DIMENSIONAL STRUCTURE OF THE R115E MUTANT OF T4-BACTERIOPHAGE 2'-DEOXYCYTIDYLATE DEAMINASE BIOCHEMISTRY V. 43 13715 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DDN A:308;
Valid;
none;
submit data
310.198 C9 H15 N2 O8 P C1C(C...
ZN A:701;
A:702;
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
1VQ2 2.2 Å EC: 3.5.4.12 CRYSTAL STRUCTURE OF T4-BACTERIOPHAGE DEOXYCYTIDYLATE DEAMIN MUTANT R115E ENTEROBACTERIA PHAGE T4 HYDROLASE
Ref.: THREE-DIMENSIONAL STRUCTURE OF THE R115E MUTANT OF T4-BACTERIOPHAGE 2'-DEOXYCYTIDYLATE DEAMINASE BIOCHEMISTRY V. 43 13715 2004
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1VQ2 - DDN C9 H15 N2 O8 P C1C(C(OC1N....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1VQ2 - DDN C9 H15 N2 O8 P C1C(C(OC1N....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1VQ2 - DDN C9 H15 N2 O8 P C1C(C(OC1N....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: DDN; Similar ligands found: 24
No: Ligand ECFP6 Tc MDL keys Tc
1 DDN 1 1
2 UMP 0.632353 1
3 DU 0.632353 1
4 5IU 0.561644 0.929577
5 UFP 0.555556 0.929577
6 BRU 0.547945 0.929577
7 5HU 0.547945 0.942857
8 TMP 0.547945 0.956522
9 DCM 0.527027 0.928571
10 DUD 0.506494 0.985075
11 UC5 0.506494 0.970588
12 BVP 0.5 0.942857
13 DUT 0.481481 0.985075
14 DUP 0.47561 0.956522
15 DUN 0.475 0.956522
16 UMC 0.466667 0.941176
17 TYD 0.439024 0.942857
18 DUT MG 0.435294 0.914286
19 UMP AF3 PO4 0.430233 0.876712
20 YYY 0.421687 0.915493
21 TTP 0.418605 0.942857
22 8OG 0.406977 0.835443
23 DCP 0.402299 0.915493
24 ZEB 0.4 0.771429
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1VQ2; Ligand: DDN; Similar sites found: 27
This union binding pocket(no: 1) in the query (biounit: 1vq2.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
1 1CTU ZEB 2.694e-07 0.59409
2 1P6O HPY 1.071e-08 0.56928
3 2FR6 URI 2.862e-06 0.55227
4 2FR6 URI 2.862e-06 0.55227
5 2FR6 URI 5.664e-07 0.54863
6 2FR6 CTN 5.146e-06 0.5411
7 2FR6 CTN 5.146e-06 0.5411
8 1UWZ THU 3.576e-06 0.53631
9 4LCN GNG 2.572e-06 0.52053
10 2Z3H BLO 0.0005358 0.50796
11 1MQ0 BRD 7.298e-05 0.47363
12 4LO2 GAL BGC 0.005959 0.42735
13 2H88 TEO 0.006322 0.42415
14 2F2U M77 0.0067 0.41832
15 2JLD AG1 0.008383 0.41685
16 2JLD AG1 0.008903 0.41685
17 2J41 5GP 0.01268 0.40923
18 3UPY FOM 0.02112 0.40723
19 1H0A I3P 0.02022 0.40488
20 3F81 STT 0.01564 0.40387
21 2Q3M MLA 0.02773 0.40336
22 2VSS V55 0.003886 0.40331
23 4JWF SAH 0.01018 0.40326
24 4JWH SAH 0.01116 0.40298
25 2XB7 GUI 0.02654 0.4017
26 1EWF PC1 0.02831 0.40035
27 3GUZ PAF 0.02626 0.40026
Pocket No.: 2; Query (leader) PDB : 1VQ2; Ligand: DDN; Similar sites found: 27
This union binding pocket(no: 2) in the query (biounit: 1vq2.bio2) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
1 1CTU ZEB 2.694e-07 0.59409
2 1P6O HPY 1.071e-08 0.56928
3 2FR6 URI 2.862e-06 0.55227
4 2FR6 URI 2.862e-06 0.55227
5 2FR6 URI 5.664e-07 0.54863
6 2FR6 CTN 5.146e-06 0.5411
7 2FR6 CTN 5.146e-06 0.5411
8 1UWZ THU 3.576e-06 0.53631
9 4LCN GNG 2.572e-06 0.52053
10 2Z3H BLO 0.0005358 0.50796
11 1MQ0 BRD 7.298e-05 0.47363
12 4LO2 GAL BGC 0.005959 0.42735
13 2H88 TEO 0.006322 0.42415
14 2F2U M77 0.0067 0.41832
15 2JLD AG1 0.008383 0.41685
16 2JLD AG1 0.008903 0.41685
17 2J41 5GP 0.01268 0.40923
18 3UPY FOM 0.02112 0.40723
19 1H0A I3P 0.02022 0.40488
20 3F81 STT 0.01564 0.40387
21 2Q3M MLA 0.02773 0.40336
22 2VSS V55 0.003886 0.40331
23 4JWF SAH 0.01018 0.40326
24 4JWH SAH 0.01116 0.40298
25 2XB7 GUI 0.02654 0.4017
26 1EWF PC1 0.02831 0.40035
27 3GUZ PAF 0.02626 0.40026
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