Receptor
PDB id Resolution Class Description Source Keywords
1B5D 2.2 Å EC: 2.1.2.8 DCMP HYDROXYMETHYLASE FROM T4 (INTACT) ENTEROBACTERIA PHAGE T4 HYDROXYMETHYLASE DNTP SYNTHESIZING COMPLEX TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF DEOXYCYTIDYLATE HYDROXYMETHYLA BACTERIOPHAGE T4, A COMPONENT OF THE DEOXYRIBONUCLE TRIPHOSPHATE-SYNTHESIZING COMPLEX. EMBO J. V. 18 1104 1999
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DCM A:300;
B:400;
Valid;
Valid;
none;
none;
submit data
307.197 C9 H14 N3 O7 P C1C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1B5E 1.6 Å EC: 2.1.2.8 DCMP HYDROXYMETHYLASE FROM T4 ENTEROBACTERIA PHAGE T4 HYDROXYMETHYLASE DNTP SYNTHESIZING COMPLEX TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF DEOXYCYTIDYLATE HYDROXYMETHYLA BACTERIOPHAGE T4, A COMPONENT OF THE DEOXYRIBONUCLE TRIPHOSPHATE-SYNTHESIZING COMPLEX. EMBO J. V. 18 1104 1999
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1B5D - DCM C9 H14 N3 O7 P C1C(C(OC1N....
2 1B5E - DCM C9 H14 N3 O7 P C1C(C(OC1N....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1B5D - DCM C9 H14 N3 O7 P C1C(C(OC1N....
2 1B5E - DCM C9 H14 N3 O7 P C1C(C(OC1N....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1B5D - DCM C9 H14 N3 O7 P C1C(C(OC1N....
2 1B5E - DCM C9 H14 N3 O7 P C1C(C(OC1N....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: DCM; Similar ligands found: 45
No: Ligand ECFP6 Tc MDL keys Tc
1 DCM 1 1
2 YYY 0.80597 0.985714
3 DCP 0.760563 0.985714
4 LDC 0.693548 0.833333
5 DCZ 0.693548 0.833333
6 DCP MG 0.693333 0.917808
7 DU 0.561644 0.928571
8 UMP 0.561644 0.928571
9 C 0.540541 0.902778
10 CAR 0.540541 0.902778
11 C5P 0.540541 0.902778
12 DOC 0.540541 0.971429
13 DDN 0.527027 0.928571
14 TMP 0.506494 0.890411
15 BRU 0.506494 0.866667
16 UFP 0.493506 0.866667
17 5HU 0.487179 0.878378
18 5IU 0.481013 0.866667
19 CPA 0.480769 0.860759
20 BVP 0.464286 0.878378
21 CDP 0.463415 0.890411
22 DUD 0.451219 0.915493
23 CGP 0.449541 0.851852
24 C2P 0.448718 0.902778
25 C3P 0.448718 0.888889
26 DG DC 0.448276 0.8625
27 CTP 0.447059 0.890411
28 8OG 0.44186 0.873418
29 GCQ 0.44186 0.878378
30 LTT 0.438356 0.780822
31 UC5 0.433735 0.902778
32 DC DG 0.432432 0.829268
33 3TC 0.432432 0.77027
34 DUT 0.430233 0.915493
35 DUP 0.425287 0.890411
36 CTN 0.424658 0.756757
37 AR3 0.424658 0.756757
38 DUN 0.423529 0.890411
39 DC DG DA DC 0.414062 0.839506
40 UMC 0.4125 0.875
41 CXY 0.412371 0.866667
42 GEO 0.407895 0.76
43 CDP MG 0.406977 0.828947
44 TYD 0.406977 0.878378
45 I5A 0.4 0.743243
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1B5E; Ligand: DCM; Similar sites found: 41
This union binding pocket(no: 1) in the query (biounit: 1b5e.bio2) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
1 2A9W UMP 1.076e-09 0.75785
2 2A9W UMP 2.641e-09 0.73776
3 1NCE UMP 2.011e-09 0.73087
4 1TSD UMP 2.097e-09 0.72529
5 2AAZ UMP 4.288e-09 0.71935
6 1SYN UMP 3.586e-09 0.71876
7 2AAZ UMP 4.553e-09 0.71809
8 2AAZ UMP 4.596e-09 0.71789
9 2AAZ UMP 4.845e-09 0.71678
10 4ISK UMP 3.188e-09 0.71658
11 2AAZ UMP 5.031e-09 0.71599
12 2AAZ UMP 5.101e-09 0.7157
13 2AAZ UMP 5.363e-09 0.71464
14 2AAZ UMP 4.43e-09 0.71434
15 1ZPR UMP 5.782e-09 0.7042
16 1AIQ UMP 1.7e-09 0.69944
17 4EIL UMP 8.581e-10 0.6918
18 1J3I UMP 2.778e-09 0.69075
19 4ISK UMP 1.811e-08 0.68048
20 2G86 UMP 8.02e-07 0.67197
21 4ISK UMP 2.284e-08 0.67103
22 4EIL UMP 2.542e-09 0.67076
23 4EIL UMP 1.109e-09 0.66684
24 1AXW UMP 4.065e-09 0.66268
25 1F28 UMP 1.665e-09 0.66015
26 1F28 UMP 1.682e-09 0.65997
27 4EIL UMP 5.095e-09 0.65879
28 1TLC DGP 4.791e-09 0.65874
29 2KCE D16 1.046e-06 0.65612
30 1JG0 UMP 9.839e-09 0.64916
31 1TDU DUR 1.575e-07 0.6312
32 1DDU DDU 1.822e-07 0.6282
33 1F4G TP4 5.234e-06 0.57851
34 1I00 UMP 3.521e-07 0.50167
35 3NRR UMP 3.135e-07 0.46044
36 2GGX NPJ 0.01138 0.40637
37 1TLG GAL 0.01098 0.40489
38 1TLG GAL 0.01098 0.40489
39 1TLG GAL 0.01098 0.40489
40 3K87 FAD 0.03981 0.40239
41 1PZM 5GP 0.01157 0.40003
Pocket No.: 2; Query (leader) PDB : 1B5E; Ligand: DCM; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1b5e.bio2) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
Pocket No.: 3; Query (leader) PDB : 1B5E; Ligand: DCM; Similar sites found: 41
This union binding pocket(no: 3) in the query (biounit: 1b5e.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
1 2A9W UMP 1.076e-09 0.75785
2 2A9W UMP 2.641e-09 0.73776
3 1NCE UMP 2.011e-09 0.73087
4 1TSD UMP 2.097e-09 0.72529
5 2AAZ UMP 4.288e-09 0.71935
6 1SYN UMP 3.586e-09 0.71876
7 2AAZ UMP 4.553e-09 0.71809
8 2AAZ UMP 4.596e-09 0.71789
9 2AAZ UMP 4.845e-09 0.71678
10 4ISK UMP 3.188e-09 0.71658
11 2AAZ UMP 5.031e-09 0.71599
12 2AAZ UMP 5.101e-09 0.7157
13 2AAZ UMP 5.363e-09 0.71464
14 2AAZ UMP 4.43e-09 0.71434
15 1ZPR UMP 5.782e-09 0.7042
16 1AIQ UMP 1.7e-09 0.69944
17 4EIL UMP 8.581e-10 0.6918
18 1J3I UMP 2.778e-09 0.69075
19 4ISK UMP 1.811e-08 0.68048
20 2G86 UMP 8.02e-07 0.67197
21 4ISK UMP 2.284e-08 0.67103
22 4EIL UMP 2.542e-09 0.67076
23 4EIL UMP 1.109e-09 0.66684
24 1AXW UMP 4.065e-09 0.66268
25 1F28 UMP 1.665e-09 0.66015
26 1F28 UMP 1.682e-09 0.65997
27 4EIL UMP 5.095e-09 0.65879
28 1TLC DGP 4.791e-09 0.65874
29 2KCE D16 1.046e-06 0.65612
30 1JG0 UMP 9.839e-09 0.64916
31 1TDU DUR 1.575e-07 0.6312
32 1DDU DDU 1.822e-07 0.6282
33 1F4G TP4 5.234e-06 0.57851
34 1I00 UMP 3.521e-07 0.50167
35 3NRR UMP 3.135e-07 0.46044
36 2GGX NPJ 0.01138 0.40637
37 1TLG GAL 0.01098 0.40489
38 1TLG GAL 0.01098 0.40489
39 1TLG GAL 0.01098 0.40489
40 3K87 FAD 0.03981 0.40239
41 1PZM 5GP 0.01157 0.40003
Pocket No.: 4; Query (leader) PDB : 1B5E; Ligand: DCM; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1b5e.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
Feedback