Receptor
PDB id Resolution Class Description Source Keywords
4MLO 1.65 Å NON-ENZYME: OTHER 1.65A RESOLUTION STRUCTURE OF TOXT FROM VIBRIO CHOLERAE (P21 VIBRIO CHOLERAE TOXT DNA BINDING TRANSCRIPTION REGULATOR
Ref.: 1.65 ANGSTROM RESOLUTION STRUCTURE OF THE ARAC-FAMI TRANSCRIPTIONAL ACTIVATOR TOXT FROM VIBRIO CHOLERAE ACTA CRYSTALLOGR F STRUCT V. 72 726 2016 BIOL COMMUN
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:302;
A:301;
A:303;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
35.453 Cl [Cl-]
PAM A:304;
Valid;
none;
submit data
254.408 C16 H30 O2 CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4MLO 1.65 Å NON-ENZYME: OTHER 1.65A RESOLUTION STRUCTURE OF TOXT FROM VIBRIO CHOLERAE (P21 VIBRIO CHOLERAE TOXT DNA BINDING TRANSCRIPTION REGULATOR
Ref.: 1.65 ANGSTROM RESOLUTION STRUCTURE OF THE ARAC-FAMI TRANSCRIPTIONAL ACTIVATOR TOXT FROM VIBRIO CHOLERAE ACTA CRYSTALLOGR F STRUCT V. 72 726 2016 BIOL COMMUN
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 4MLO - PAM C16 H30 O2 CCCCCCC=C/....
2 3GBG - PAM C16 H30 O2 CCCCCCC=C/....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 4MLO - PAM C16 H30 O2 CCCCCCC=C/....
2 3GBG - PAM C16 H30 O2 CCCCCCC=C/....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 4MLO - PAM C16 H30 O2 CCCCCCC=C/....
2 3GBG - PAM C16 H30 O2 CCCCCCC=C/....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PAM; Similar ligands found: 49
No: Ligand ECFP6 Tc MDL keys Tc
1 VCA 1 1
2 PAM 1 1
3 ELA 0.939394 1
4 OLA 0.939394 1
5 NER 0.939394 1
6 MYZ 0.852941 0.954545
7 EIC 0.725 0.956522
8 ODD 0.675 0.956522
9 DCR 0.666667 0.954545
10 KNA 0.666667 0.954545
11 11A 0.666667 0.954545
12 STE 0.666667 0.954545
13 DKA 0.666667 0.954545
14 TDA 0.666667 0.954545
15 MYR 0.666667 0.954545
16 F15 0.666667 0.954545
17 PLM 0.666667 0.954545
18 DAO 0.666667 0.954545
19 F23 0.666667 0.954545
20 OCA 0.636364 0.954545
21 RCL 0.625 0.88
22 LNL 0.613636 0.869565
23 SHV 0.606061 0.909091
24 KTC 0.564103 0.84
25 ODT 0.555556 0.826087
26 T25 0.54717 0.709677
27 AZ1 0.53125 0.615385
28 6NA 0.529412 0.863636
29 10X 0.529412 0.645161
30 10Y 0.529412 0.645161
31 3X1 0.525 0.863636
32 243 0.519231 0.846154
33 MVC 0.519231 0.617647
34 VA 0.511111 0.692308
35 OLC 0.490566 0.617647
36 OLB 0.490566 0.617647
37 ACD 0.488889 0.956522
38 EOD 0.468085 0.677419
39 78M 0.444444 0.617647
40 78N 0.444444 0.617647
41 3LA 0.44186 0.769231
42 LEA 0.441176 0.772727
43 T24 0.438596 0.769231
44 BRC 0.435897 0.64
45 M12 0.428571 0.833333
46 MPG 0.425926 0.617647
47 9OD 0.422222 0.72
48 14V 0.413043 0.714286
49 14U 0.4 0.678571
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4MLO; Ligand: PAM; Similar sites found: 68
This union binding pocket(no: 1) in the query (biounit: 4mlo.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2BOS GLA GAL GLC 0.002757 0.42798 None
2 2BOS GLA GAL 0.002829 0.42708 None
3 5H9Q TD2 0.01155 0.41192 None
4 2D6M LBT 0.01082 0.41166 None
5 1OI6 TMP 0.02362 0.40121 None
6 5JSP DQY 0.01224 0.41296 0.995025
7 4C01 QY9 0.009726 0.41677 1.08696
8 3AVS OGA 0.002247 0.44174 2.17391
9 3AVR OGA 0.008813 0.42027 2.17391
10 3PUR 2HG 0.01321 0.41118 2.17391
11 4QM9 CYS 0.0007489 0.47587 2.31214
12 1V9T SIN ALA PRO ALA NIT 0.01531 0.40558 2.40964
13 4RFR RHN 0.0007643 0.42644 2.46305
14 1YRX FMN 0.006127 0.40132 2.47934
15 5H9P TD2 0.01698 0.40332 2.53165
16 4QXB OGA 0.003031 0.43543 2.53623
17 4DSU BZI 0.02109 0.40521 2.89855
18 4HN1 TYD 0.01014 0.40554 2.98507
19 5I0U DCY 0.01095 0.40396 3
20 2AGC DAO 0.005628 0.42236 3.08642
21 1DMY AZM 0.01299 0.40464 3.22581
22 4EE7 PIS 0.003745 0.43332 3.26087
23 2FCU AKG 0.0165 0.4055 3.26087
24 3HAV ATP 0.01749 0.40434 3.26087
25 3HX3 RET 0.001033 0.4281 3.62319
26 4P7X YCP 0.002112 0.41467 3.62319
27 4P7X AKG 0.002112 0.41467 3.62319
28 2P7Q GG6 0.01692 0.40339 3.7594
29 3WG3 A2G GAL NAG FUC 0.01131 0.41562 3.93258
30 2AXR ABL 0.001661 0.45713 3.98551
31 3ZDS HQ9 0.007781 0.42268 3.98551
32 4M1U A2G MBG 0.007909 0.41867 3.98551
33 3ZDS M8O 0.01442 0.40243 3.98551
34 3ZDS OMD 0.01555 0.40083 3.98551
35 4OCT AKG 0.007261 0.41243 4.05405
36 4ZXA H8N 0.005014 0.4248 4.34783
37 3FW3 ETS 0.009175 0.4076 4.51128
38 5T7I LAT NAG GAL 0.01502 0.40844 4.51613
39 2QL9 CIT 0.0004936 0.49005 4.62428
40 2XUM OGA 0.005907 0.4301 4.71014
41 1J3R 6PG 0.002808 0.43198 4.73684
42 5LXB 7A9 0.01684 0.40007 4.95868
43 4D52 GIV 0.01626 0.40153 5.07246
44 4GJY OGA 0.01178 0.4145 5.10638
45 5KO1 6UY 0.00517 0.40376 5.7971
46 1SZ0 M6P 0.01361 0.41583 6.15942
47 3SAO DBH 0.0131 0.42265 6.25
48 2Q8C AKG 0.006261 0.42786 6.52174
49 5FWE OGA 0.006765 0.4257 6.52174
50 2YBP 2HG 0.01059 0.41526 6.52174
51 2Q8E OGA 0.01242 0.41224 6.52174
52 2OS2 OGA 0.01269 0.41169 6.52174
53 5MBC FMN 0.005736 0.40219 6.52174
54 1A78 TDG 0.001947 0.45662 7.46269
55 2CIR BG6 0.002486 0.4481 7.6087
56 1M6P M6P 0.01862 0.40131 7.89474
57 1IND EOT 0.007177 0.42548 8.40708
58 1DZK PRZ 0.002777 0.41651 8.9172
59 1Z03 OCH 0.01057 0.41366 9.78261
60 1X0P FAD 0.008552 0.40093 10.4895
61 4XCB AKG 0.009222 0.41662 10.728
62 4MPO AMP 0.006006 0.4208 11.1111
63 3OPT AKG 0.01695 0.40517 11.9565
64 1QKQ MAN 0.004215 0.41791 11.9718
65 1I06 TZL 0.00471 0.43122 12.2222
66 3OYW TDG 0.01259 0.40984 12.6866
67 1SLT NDG GAL 0.00269 0.44724 13.4328
68 4WVW SLT 0.002164 0.4578 25
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