Receptor
PDB id Resolution Class Description Source Keywords
1M7Z 2.14 Å EC: 1.14.13.165 STRUCTURE OF NITRIC OXIDE SYNTHASE HEME PROTEIN FROM BACILLUS SUBTILIS WITH N-HYDROXY-ARGININE AND T ETRAHYDROFOLATE BOUND BACILLUS SUBTILIS OXYGENASE TETRAHYDROFOLATE PTERIN BACTERIA HEME HYDROXY ARGININE OXIDOREDUCTASE
Ref.: STRUCTURE OF A NITRIC OXIDE SYNTHASE HEME PROTEIN FROM BACILLUS SUBTILIS. BIOCHEMISTRY V. 41 11071 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HAR A:909;
Valid;
none;
submit data
190.2 C6 H14 N4 O3 C(C[C...
HEM A:901;
Part of Protein;
none;
submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
THG A:1999;
Valid;
none;
submit data
445.429 C19 H23 N7 O6 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4LWA 2.06 Å EC: 1.14.13.165 STRUCTURE OF BACILLUS SUBTILIS NITRIC OXIDE SYNTHASE IN COMP ((2S, 3S)-1,3-BIS((6-(2,5-DIMETHYL-1H-PYRROL-1-YL)-4-METHYLY L)METHOXY)-2-AMINOBUTANE BACILLUS SUBTILIS SUBSP. SUBTILIS NITRIC OXIDE SYNTHASE OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITCOMPLEX
Ref.: STRUCTURAL AND BIOLOGICAL STUDIES ON BACTERIAL NITR SYNTHASE INHIBITORS. PROC.NATL.ACAD.SCI.USA V. 110 18127 2013
Members (73)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5G6E - H4B C9 H15 N5 O3 C[C@@H]([C....
2 4UG9 - 1EW C25 H33 N5 Cc1cc(nc(c....
3 4UGH - H4B C9 H15 N5 O3 C[C@@H]([C....
4 2FBZ - HAR C6 H14 N4 O3 C(C[C@@H](....
5 5G6B - M48 C19 H20 F N3 c1cc(cc(c1....
6 4D3V - RFQ C24 H21 N4 O2 S2 [H]/N=C(/c....
7 5G6N - 8VJ C19 H21 N3 O CN(C)Cc1cc....
8 4UG5 - XFK C21 H25 N5 Cc1cc(nc(c....
9 4UGR - 6E5 C29 H31 N5 O2 S2 [H]/N=C(/c....
10 5G6K - M94 C19 H21 N3 O CNCCc1cccc....
11 4UG8 - HW1 C22 H33 N5 O Cc1cc(nc(c....
12 4UGG - S5D C22 H27 N5 Cc1cc(nc(c....
13 4D7I - 0GD C21 H22 F N3 Cc1cc(nc(c....
14 5G6O - 8VJ C19 H21 N3 O CN(C)Cc1cc....
15 4UGQ - 7LN C27 H29 N5 O2 S2 c1cc(cc(c1....
16 4UGW - HW1 C22 H33 N5 O Cc1cc(nc(c....
17 5G6F - 2SN C19 H22 N4 CN(C)Cc1cc....
18 5G6L - XEB C18 H18 Cl N3 O CNCc1cc(cc....
19 5G69 - H4B C9 H15 N5 O3 C[C@@H]([C....
20 4UGS - H36 C24 H22 N4 O2 S2 [H]/N=C(Nc....
21 5G6C - H4B C9 H15 N5 O3 C[C@@H]([C....
22 4UGC - 1Q6 C17 H25 N5 O2 Cc1cc(nc(c....
23 4UGE - H4B C9 H15 N5 O3 C[C@@H]([C....
24 4D3K - 12S C25 H33 N5 Cc1cc(nc(c....
25 4UG7 - 1EV C23 H25 N5 Cc1cc(nc(c....
26 4UGT - UGT C16 H19 N3 O S c1cc(cc(c1....
27 4UGF - Q16 C19 H27 N5 O2 Cc1cc(nc(c....
28 4LWB Kd = 4.4 uM QJ8 C19 H27 N5 O2 Cc1cc(nc(c....
29 4UG6 - H4B C9 H15 N5 O3 C[C@@H]([C....
30 5G6D - JHT C19 H22 N4 CN(C)c1ccc....
31 4D7J - 0GD C21 H22 F N3 Cc1cc(nc(c....
32 4UGY - H4B C9 H15 N5 O3 C[C@@H]([C....
33 5G6A - H4B C9 H15 N5 O3 C[C@@H]([C....
34 1M7V - THG C19 H23 N7 O6 c1cc(ccc1C....
35 2FC2 - HBI C9 H13 N5 O3 C[C@@H]([C....
36 4D3J - XFN C22 H27 N5 Cc1cc(nc(c....
37 5G6M - 9M9 C17 H17 N3 O c1cc(cc(c1....
38 4UQR - H4B C9 H15 N5 O3 C[C@@H]([C....
39 4UGL - S90 C20 H27 F N4 Cc1cc(nc(c....
40 4UGM - H4B C9 H15 N5 O3 C[C@@H]([C....
41 4D3O - S97 C24 H27 N5 Cc1cc(nc(c....
42 4UGA - Q05 C22 H24 F N3 O Cc1cc(nc(c....
43 5G6J - M94 C19 H21 N3 O CNCCc1cccc....
44 4UGP - H4B C9 H15 N5 O3 C[C@@H]([C....
45 4UGV - H4B C9 H15 N5 O3 C[C@@H]([C....
46 5G66 - M5K C10 H10 N2 Cc1cc(nc2c....
47 4D3I - 1ET C23 H29 N5 Cc1cc(nc(c....
48 4UGK - 7S9 C17 H24 N4 Cc1cc(nc(c....
49 4D3N - SK6 C22 H23 N5 Cc1cc(nc(c....
50 4D3U - RFQ C24 H21 N4 O2 S2 [H]/N=C(/c....
51 4UGN - H49 C17 H22 N4 S c1cc(cc(c1....
52 5G67 - M87 C18 H18 F N3 c1cc(cc(c1....
53 5G6Q - TUE C17 H16 N4 O C=NCc1cc(c....
54 4UGX - 5H4 C22 H24 F N3 S [H]/N=C(c1....
55 4D3M - IVU C24 H27 N5 Cc1cc(nc(c....
56 4UGJ - H4B C9 H15 N5 O3 C[C@@H]([C....
57 2FC1 - HBI C9 H13 N5 O3 C[C@@H]([C....
58 5G6P - 8VJ C19 H21 N3 O CN(C)Cc1cc....
59 4UGO - 1QF C27 H29 N5 S2 [H]/N=C(c1....
60 5G6G - H8B C18 H19 N3 O CNCc1ccccc....
61 4D7H - M46 C20 H22 F N3 c1cc(cc(c1....
62 4UQS - INE C7 H4 Br N3 O2 c1cc2c(c(c....
63 5G68 - ML6 C19 H20 F N3 c1cc(cc(c1....
64 1M7Z - THG C19 H23 N7 O6 c1cc(ccc1C....
65 4UGB - QJ7 C21 H23 F N4 O Cc1cc(nc(c....
66 4UGD - Q14 C18 H27 N5 O2 Cc1cc(nc(c....
67 5G6I - H4B C9 H15 N5 O3 C[C@@H]([C....
68 4D3T - RFQ C24 H21 N4 O2 S2 [H]/N=C(/c....
69 5G65 - 2AQ C9 H8 N2 c1ccc2c(c1....
70 5G6H - H4B C9 H15 N5 O3 C[C@@H]([C....
71 4UGI - SKO C17 H25 N5 Cc1cc(nc(c....
72 4LWA Kd = 1.1 uM Q13 C18 H27 N5 O2 Cc1cc(nc(c....
73 4UGU - PQW C27 H27 N5 O2 S2 [H]/N=C(/c....
70% Homology Family (73)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5G6E - H4B C9 H15 N5 O3 C[C@@H]([C....
2 4UG9 - 1EW C25 H33 N5 Cc1cc(nc(c....
3 4UGH - H4B C9 H15 N5 O3 C[C@@H]([C....
4 2FBZ - HAR C6 H14 N4 O3 C(C[C@@H](....
5 5G6B - M48 C19 H20 F N3 c1cc(cc(c1....
6 4D3V - RFQ C24 H21 N4 O2 S2 [H]/N=C(/c....
7 5G6N - 8VJ C19 H21 N3 O CN(C)Cc1cc....
8 4UG5 - XFK C21 H25 N5 Cc1cc(nc(c....
9 4UGR - 6E5 C29 H31 N5 O2 S2 [H]/N=C(/c....
10 5G6K - M94 C19 H21 N3 O CNCCc1cccc....
11 4UG8 - HW1 C22 H33 N5 O Cc1cc(nc(c....
12 4UGG - S5D C22 H27 N5 Cc1cc(nc(c....
13 4D7I - 0GD C21 H22 F N3 Cc1cc(nc(c....
14 5G6O - 8VJ C19 H21 N3 O CN(C)Cc1cc....
15 4UGQ - 7LN C27 H29 N5 O2 S2 c1cc(cc(c1....
16 4UGW - HW1 C22 H33 N5 O Cc1cc(nc(c....
17 5G6F - 2SN C19 H22 N4 CN(C)Cc1cc....
18 5G6L - XEB C18 H18 Cl N3 O CNCc1cc(cc....
19 5G69 - H4B C9 H15 N5 O3 C[C@@H]([C....
20 4UGS - H36 C24 H22 N4 O2 S2 [H]/N=C(Nc....
21 5G6C - H4B C9 H15 N5 O3 C[C@@H]([C....
22 4UGC - 1Q6 C17 H25 N5 O2 Cc1cc(nc(c....
23 4UGE - H4B C9 H15 N5 O3 C[C@@H]([C....
24 4D3K - 12S C25 H33 N5 Cc1cc(nc(c....
25 4UG7 - 1EV C23 H25 N5 Cc1cc(nc(c....
26 4UGT - UGT C16 H19 N3 O S c1cc(cc(c1....
27 4UGF - Q16 C19 H27 N5 O2 Cc1cc(nc(c....
28 4LWB Kd = 4.4 uM QJ8 C19 H27 N5 O2 Cc1cc(nc(c....
29 4UG6 - H4B C9 H15 N5 O3 C[C@@H]([C....
30 5G6D - JHT C19 H22 N4 CN(C)c1ccc....
31 4D7J - 0GD C21 H22 F N3 Cc1cc(nc(c....
32 4UGY - H4B C9 H15 N5 O3 C[C@@H]([C....
33 5G6A - H4B C9 H15 N5 O3 C[C@@H]([C....
34 1M7V - THG C19 H23 N7 O6 c1cc(ccc1C....
35 2FC2 - HBI C9 H13 N5 O3 C[C@@H]([C....
36 4D3J - XFN C22 H27 N5 Cc1cc(nc(c....
37 5G6M - 9M9 C17 H17 N3 O c1cc(cc(c1....
38 4UQR - H4B C9 H15 N5 O3 C[C@@H]([C....
39 4UGL - S90 C20 H27 F N4 Cc1cc(nc(c....
40 4UGM - H4B C9 H15 N5 O3 C[C@@H]([C....
41 4D3O - S97 C24 H27 N5 Cc1cc(nc(c....
42 4UGA - Q05 C22 H24 F N3 O Cc1cc(nc(c....
43 5G6J - M94 C19 H21 N3 O CNCCc1cccc....
44 4UGP - H4B C9 H15 N5 O3 C[C@@H]([C....
45 4UGV - H4B C9 H15 N5 O3 C[C@@H]([C....
46 5G66 - M5K C10 H10 N2 Cc1cc(nc2c....
47 4D3I - 1ET C23 H29 N5 Cc1cc(nc(c....
48 4UGK - 7S9 C17 H24 N4 Cc1cc(nc(c....
49 4D3N - SK6 C22 H23 N5 Cc1cc(nc(c....
50 4D3U - RFQ C24 H21 N4 O2 S2 [H]/N=C(/c....
51 4UGN - H49 C17 H22 N4 S c1cc(cc(c1....
52 5G67 - M87 C18 H18 F N3 c1cc(cc(c1....
53 5G6Q - TUE C17 H16 N4 O C=NCc1cc(c....
54 4UGX - 5H4 C22 H24 F N3 S [H]/N=C(c1....
55 4D3M - IVU C24 H27 N5 Cc1cc(nc(c....
56 4UGJ - H4B C9 H15 N5 O3 C[C@@H]([C....
57 2FC1 - HBI C9 H13 N5 O3 C[C@@H]([C....
58 5G6P - 8VJ C19 H21 N3 O CN(C)Cc1cc....
59 4UGO - 1QF C27 H29 N5 S2 [H]/N=C(c1....
60 5G6G - H8B C18 H19 N3 O CNCc1ccccc....
61 4D7H - M46 C20 H22 F N3 c1cc(cc(c1....
62 4UQS - INE C7 H4 Br N3 O2 c1cc2c(c(c....
63 5G68 - ML6 C19 H20 F N3 c1cc(cc(c1....
64 1M7Z - THG C19 H23 N7 O6 c1cc(ccc1C....
65 4UGB - QJ7 C21 H23 F N4 O Cc1cc(nc(c....
66 4UGD - Q14 C18 H27 N5 O2 Cc1cc(nc(c....
67 5G6I - H4B C9 H15 N5 O3 C[C@@H]([C....
68 4D3T - RFQ C24 H21 N4 O2 S2 [H]/N=C(/c....
69 5G65 - 2AQ C9 H8 N2 c1ccc2c(c1....
70 5G6H - H4B C9 H15 N5 O3 C[C@@H]([C....
71 4UGI - SKO C17 H25 N5 Cc1cc(nc(c....
72 4LWA Kd = 1.1 uM Q13 C18 H27 N5 O2 Cc1cc(nc(c....
73 4UGU - PQW C27 H27 N5 O2 S2 [H]/N=C(/c....
50% Homology Family (74)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5G6E - H4B C9 H15 N5 O3 C[C@@H]([C....
2 4UG9 - 1EW C25 H33 N5 Cc1cc(nc(c....
3 4UGH - H4B C9 H15 N5 O3 C[C@@H]([C....
4 2FBZ - HAR C6 H14 N4 O3 C(C[C@@H](....
5 5G6B - M48 C19 H20 F N3 c1cc(cc(c1....
6 4D3V - RFQ C24 H21 N4 O2 S2 [H]/N=C(/c....
7 5G6N - 8VJ C19 H21 N3 O CN(C)Cc1cc....
8 4UG5 - XFK C21 H25 N5 Cc1cc(nc(c....
9 4UGR - 6E5 C29 H31 N5 O2 S2 [H]/N=C(/c....
10 5G6K - M94 C19 H21 N3 O CNCCc1cccc....
11 4UG8 - HW1 C22 H33 N5 O Cc1cc(nc(c....
12 4UGG - S5D C22 H27 N5 Cc1cc(nc(c....
13 4D7I - 0GD C21 H22 F N3 Cc1cc(nc(c....
14 5G6O - 8VJ C19 H21 N3 O CN(C)Cc1cc....
15 4UGQ - 7LN C27 H29 N5 O2 S2 c1cc(cc(c1....
16 4UGW - HW1 C22 H33 N5 O Cc1cc(nc(c....
17 5G6F - 2SN C19 H22 N4 CN(C)Cc1cc....
18 5G6L - XEB C18 H18 Cl N3 O CNCc1cc(cc....
19 5G69 - H4B C9 H15 N5 O3 C[C@@H]([C....
20 4UGS - H36 C24 H22 N4 O2 S2 [H]/N=C(Nc....
21 5G6C - H4B C9 H15 N5 O3 C[C@@H]([C....
22 4UGC - 1Q6 C17 H25 N5 O2 Cc1cc(nc(c....
23 4UGE - H4B C9 H15 N5 O3 C[C@@H]([C....
24 4D3K - 12S C25 H33 N5 Cc1cc(nc(c....
25 4UG7 - 1EV C23 H25 N5 Cc1cc(nc(c....
26 4UGT - UGT C16 H19 N3 O S c1cc(cc(c1....
27 4UGF - Q16 C19 H27 N5 O2 Cc1cc(nc(c....
28 4LWB Kd = 4.4 uM QJ8 C19 H27 N5 O2 Cc1cc(nc(c....
29 4UG6 - H4B C9 H15 N5 O3 C[C@@H]([C....
30 5G6D - JHT C19 H22 N4 CN(C)c1ccc....
31 4D7J - 0GD C21 H22 F N3 Cc1cc(nc(c....
32 4UGY - H4B C9 H15 N5 O3 C[C@@H]([C....
33 5G6A - H4B C9 H15 N5 O3 C[C@@H]([C....
34 1M7V - THG C19 H23 N7 O6 c1cc(ccc1C....
35 2FC2 - HBI C9 H13 N5 O3 C[C@@H]([C....
36 4D3J - XFN C22 H27 N5 Cc1cc(nc(c....
37 5G6M - 9M9 C17 H17 N3 O c1cc(cc(c1....
38 4UQR - H4B C9 H15 N5 O3 C[C@@H]([C....
39 4UGL - S90 C20 H27 F N4 Cc1cc(nc(c....
40 4UGM - H4B C9 H15 N5 O3 C[C@@H]([C....
41 4D3O - S97 C24 H27 N5 Cc1cc(nc(c....
42 4UGA - Q05 C22 H24 F N3 O Cc1cc(nc(c....
43 5G6J - M94 C19 H21 N3 O CNCCc1cccc....
44 4UGP - H4B C9 H15 N5 O3 C[C@@H]([C....
45 4UGV - H4B C9 H15 N5 O3 C[C@@H]([C....
46 5G66 - M5K C10 H10 N2 Cc1cc(nc2c....
47 4D3I - 1ET C23 H29 N5 Cc1cc(nc(c....
48 4UGK - 7S9 C17 H24 N4 Cc1cc(nc(c....
49 4D3N - SK6 C22 H23 N5 Cc1cc(nc(c....
50 4D3U - RFQ C24 H21 N4 O2 S2 [H]/N=C(/c....
51 4UGN - H49 C17 H22 N4 S c1cc(cc(c1....
52 5G67 - M87 C18 H18 F N3 c1cc(cc(c1....
53 5G6Q - TUE C17 H16 N4 O C=NCc1cc(c....
54 4UGX - 5H4 C22 H24 F N3 S [H]/N=C(c1....
55 4D3M - IVU C24 H27 N5 Cc1cc(nc(c....
56 4UGJ - H4B C9 H15 N5 O3 C[C@@H]([C....
57 2FC1 - HBI C9 H13 N5 O3 C[C@@H]([C....
58 5G6P - 8VJ C19 H21 N3 O CN(C)Cc1cc....
59 4UGO - 1QF C27 H29 N5 S2 [H]/N=C(c1....
60 5G6G - H8B C18 H19 N3 O CNCc1ccccc....
61 4D7H - M46 C20 H22 F N3 c1cc(cc(c1....
62 4UQS - INE C7 H4 Br N3 O2 c1cc2c(c(c....
63 5G68 - ML6 C19 H20 F N3 c1cc(cc(c1....
64 1M7Z - THG C19 H23 N7 O6 c1cc(ccc1C....
65 4UGB - QJ7 C21 H23 F N4 O Cc1cc(nc(c....
66 4UGD - Q14 C18 H27 N5 O2 Cc1cc(nc(c....
67 5G6I - H4B C9 H15 N5 O3 C[C@@H]([C....
68 4D3T - RFQ C24 H21 N4 O2 S2 [H]/N=C(/c....
69 5G65 - 2AQ C9 H8 N2 c1ccc2c(c1....
70 5G6H - H4B C9 H15 N5 O3 C[C@@H]([C....
71 4UGI - SKO C17 H25 N5 Cc1cc(nc(c....
72 4LWA Kd = 1.1 uM Q13 C18 H27 N5 O2 Cc1cc(nc(c....
73 4UGU - PQW C27 H27 N5 O2 S2 [H]/N=C(/c....
74 1MJT - ITU C3 H8 N2 S CCSC(=N)N
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: HAR; Similar ligands found: 36
No: Ligand ECFP6 Tc MDL keys Tc
1 HAR 1 1
2 NMM 0.707317 0.744186
3 NRG 0.666667 0.722222
4 NNH 0.65 0.928571
5 1KJ 0.644444 0.906977
6 RPI 0.630435 0.711538
7 ILO 0.619048 0.659091
8 CIR 0.6 0.681818
9 2KJ 0.591837 0.886364
10 D20 0.591837 0.673469
11 AS1 0.591837 0.717391
12 4JK 0.590909 0.704545
13 VUR 0.590909 0.681818
14 DAR 0.585366 0.780488
15 ARG 0.585366 0.780488
16 WT2 0.577778 0.714286
17 DA2 0.565217 0.64
18 3KJ 0.553191 0.829787
19 ONH 0.55 0.804878
20 JM2 0.541667 0.625
21 LN6 0.52 0.617021
22 HRG 0.511111 0.780488
23 JM7 0.509804 0.625
24 JM4 0.509434 0.6
25 3AR 0.5 0.711111
26 VIO 0.489796 0.617021
27 2MR 0.489796 0.727273
28 JM8 0.481481 0.612245
29 JM6 0.481481 0.6
30 JM5 0.472727 0.612245
31 AHL 0.468085 0.787234
32 5KJ 0.431373 0.78
33 BHH 0.428571 0.772727
34 ORN 0.414634 0.625
35 6HN 0.413043 0.607843
36 AAR 0.4 0.622222
Ligand no: 2; Ligand: THG; Similar ligands found: 28
No: Ligand ECFP6 Tc MDL keys Tc
1 THG 1 1
2 1YJ 1 1
3 1YA 0.66 0.954545
4 C2F 0.623762 0.887324
5 FFO 0.617647 0.926471
6 FON 0.518182 0.926471
7 THF 0.490909 0.873239
8 9L9 0.484848 0.892308
9 TLL 0.478632 0.863014
10 FGD 0.471698 0.846154
11 MEF 0.469027 0.84
12 DHF 0.462963 1
13 THH 0.455357 0.733333
14 GHC 0.454545 0.684211
15 29C 0.452174 0.838235
16 28Z 0.452174 0.838235
17 3TZ 0.452174 0.774648
18 29D 0.452174 0.838235
19 83A 0.45045 0.826087
20 GHW 0.449541 0.693333
21 GUE 0.431034 0.875
22 FOL 0.428571 0.863636
23 DZF 0.428571 0.848485
24 LYA 0.422018 0.782609
25 DXZ 0.401786 0.777778
26 DXY 0.401786 0.777778
27 DDF 0.4 0.910448
28 21V 0.4 0.910448
Similar Ligands (3D)
Ligand no: 1; Ligand: HAR; Similar ligands found: 232
No: Ligand Similarity coefficient
1 GGB 0.9697
2 ABH 0.9597
3 MLY 0.9572
4 NPI 0.9442
5 KPV 0.9398
6 EXY 0.9387
7 FB6 0.9352
8 DNN 0.9350
9 IAR 0.9342
10 DHH 0.9340
11 MLZ 0.9310
12 26P 0.9307
13 EGV 0.9293
14 Z70 0.9280
15 M3L 0.9279
16 4KJ 0.9264
17 SB7 0.9253
18 LPA 0.9248
19 JGY 0.9242
20 J9Y 0.9233
21 5AB 0.9230
22 S2C 0.9223
23 NOT 0.9223
24 5PV 0.9222
25 TEG 0.9205
26 SB9 0.9188
27 API 0.9179
28 6FG 0.9174
29 E8U 0.9163
30 ENW 0.9160
31 2OR 0.9158
32 PML 0.9144
33 2NP 0.9142
34 GVA 0.9127
35 I58 0.9127
36 2J3 0.9122
37 4ZD 0.9121
38 HJD 0.9118
39 KAP 0.9110
40 ALY 0.9110
41 XI7 0.9109
42 ENV 0.9107
43 11X 0.9088
44 MKN 0.9087
45 ZZU 0.9085
46 NFZ 0.9084
47 SZ7 0.9084
48 OCA 0.9084
49 6C5 0.9072
50 KNA 0.9072
51 DKA 0.9072
52 RGP 0.9066
53 19N 0.9062
54 8AC 0.9057
55 7XA 0.9054
56 S0B 0.9050
57 3GZ 0.9038
58 BZM 0.9037
59 IJ6 0.9036
60 G3M 0.9033
61 JX7 0.9025
62 M5P 0.9022
63 P93 0.9021
64 4Z0 0.9015
65 9J6 0.9008
66 JF5 0.9006
67 OJD 0.9004
68 KLS 0.8995
69 5TO 0.8994
70 9YT 0.8982
71 XOG 0.8979
72 FZ3 0.8977
73 6C9 0.8976
74 1PS 0.8974
75 6C4 0.8974
76 58X 0.8974
77 OOG 0.8973
78 4DI 0.8971
79 LL2 0.8969
80 N8C 0.8959
81 UN1 0.8949
82 D53 0.8947
83 DTB 0.8938
84 IJ1 0.8937
85 S0F 0.8932
86 3CX 0.8930
87 0V7 0.8930
88 PRO GLY 0.8930
89 SPD 0.8923
90 A51 0.8921
91 0QA 0.8920
92 0XR 0.8916
93 TPM 0.8912
94 D4G 0.8909
95 AOY 0.8908
96 GHQ 0.8905
97 GRQ 0.8903
98 GGG 0.8900
99 LVD 0.8898
100 HLP 0.8897
101 MVH 0.8891
102 3S9 0.8890
103 A8K 0.8889
104 TBJ 0.8888
105 AHN 0.8885
106 3IP 0.8885
107 PHQ ALA 0.8877
108 8YH 0.8872
109 011 0.8868
110 DA3 0.8868
111 OKP 0.8865
112 PQV 0.8858
113 YOF 0.8854
114 4TB 0.8848
115 PZX 0.8844
116 4YZ 0.8840
117 9OD 0.8837
118 1HS 0.8837
119 1HR 0.8822
120 S7D 0.8818
121 3YP 0.8817
122 DI9 0.8816
123 7MW 0.8814
124 2FM 0.8811
125 MGB 0.8806
126 DHM 0.8802
127 AZM 0.8802
128 ODI 0.8801
129 A7Q 0.8795
130 FHV 0.8795
131 64Z 0.8791
132 YIP 0.8787
133 D10 0.8781
134 IYR 0.8781
135 MF3 0.8778
136 8CV 0.8773
137 27K 0.8771
138 JFM 0.8770
139 0OP 0.8770
140 M5B 0.8769
141 DX5 0.8769
142 CT0 0.8764
143 6MW 0.8760
144 3GC 0.8760
145 PA5 0.8760
146 SLZ 0.8759
147 YE6 0.8754
148 GLY GLY GLY 0.8754
149 DBE 0.8753
150 N2Y 0.8749
151 F98 0.8749
152 4FP 0.8747
153 OJM 0.8743
154 BSU 0.8743
155 DZA 0.8741
156 PUE 0.8740
157 0L1 0.8739
158 AX5 0.8738
159 ZE7 0.8734
160 KPC 0.8734
161 HPK 0.8732
162 TZP 0.8732
163 IPE 0.8728
164 RP3 0.8725
165 STV 0.8721
166 N9M 0.8719
167 RE4 0.8719
168 E79 0.8711
169 3H2 0.8711
170 SS9 0.8698
171 PBN 0.8697
172 DIA 0.8697
173 5UF 0.8697
174 GAE 0.8696
175 HPX 0.8692
176 4Z1 0.8690
177 4TP 0.8689
178 VFG 0.8688
179 S0A 0.8687
180 A9B 0.8687
181 0K7 0.8685
182 5DS 0.8685
183 HL6 0.8685
184 FXY 0.8684
185 9VQ 0.8682
186 HPL 0.8681
187 A98 0.8680
188 6L6 0.8676
189 PMV 0.8675
190 E4P 0.8673
191 HPO 0.8673
192 37E 0.8671
193 STL 0.8665
194 DXP 0.8660
195 L06 0.8659
196 R10 0.8657
197 HPZ 0.8651
198 HX8 0.8651
199 BZQ 0.8650
200 A5P 0.8647
201 IPR 0.8647
202 YIH 0.8646
203 LYS 0.8643
204 KYN 0.8634
205 D2G 0.8629
206 N9J 0.8624
207 CXP 0.8616
208 PUW 0.8611
209 7N8 0.8609
210 TZM 0.8597
211 TYR 0.8596
212 TMG 0.8595
213 MD6 0.8590
214 BL0 0.8580
215 94X 0.8579
216 NK5 0.8576
217 5O5 0.8575
218 SNR 0.8574
219 CCW 0.8567
220 M2E 0.8566
221 0OY 0.8563
222 11C 0.8562
223 7VY 0.8559
224 0OL 0.8556
225 9JH 0.8555
226 F02 0.8546
227 2JJ 0.8544
228 JVD 0.8543
229 6J5 0.8539
230 5SP 0.8533
231 G6Q 0.8529
232 OC9 0.8523
Ligand no: 2; Ligand: THG; Similar ligands found: 3
No: Ligand Similarity coefficient
1 MTX 0.9330
2 GPB 0.8987
3 LY3 0.8631
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4LWA; Ligand: Q13; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 4lwa.bio1) has 58 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4LWA; Ligand: Q13; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4lwa.bio2) has 58 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4LWA; Ligand: Q13; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 4lwa.bio2) has 58 residues
No: Leader PDB Ligand Sequence Similarity
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