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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 1443 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 1205 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 1039 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: 54
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 X90 0.666667 0.954545
10 TDA 0.666667 0.954545
11 STE 0.666667 0.954545
12 EW8 0.666667 0.954545
13 F15 0.666667 0.954545
14 MYR 0.666667 0.954545
15 F23 0.666667 0.954545
16 DCR 0.666667 0.954545
17 11A 0.666667 0.954545
18 DAO 0.666667 0.954545
19 KNA 0.666667 0.954545
20 PLM 0.666667 0.954545
21 DKA 0.666667 0.954545
22 OCA 0.636364 0.954545
23 RCL 0.625 0.88
24 LNL 0.613636 0.869565
25 SHV 0.606061 0.909091
26 KTC 0.564103 0.84
27 ODT 0.555556 0.826087
28 T25 0.54717 0.709677
29 AZ1 0.53125 0.615385
30 10X 0.529412 0.645161
31 6NA 0.529412 0.863636
32 10Y 0.529412 0.645161
33 3X1 0.525 0.863636
34 243 0.519231 0.846154
35 MVC 0.519231 0.617647
36 VA 0.511111 0.692308
37 OLC 0.490566 0.617647
38 OLB 0.490566 0.617647
39 ACD 0.488889 0.956522
40 EOD 0.468085 0.677419
41 78N 0.444444 0.617647
42 78M 0.444444 0.617647
43 3LA 0.44186 0.769231
44 LEA 0.441176 0.772727
45 T24 0.438596 0.769231
46 BRC 0.435897 0.64
47 M12 0.428571 0.833333
48 MPG 0.425926 0.617647
49 9OD 0.422222 0.72
50 14V 0.413043 0.714286
51 BMJ 0.4 0.913043
52 D0G 0.4 0.913043
53 14U 0.4 0.678571
54 BNV 0.4 0.913043
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4MLO; Ligand: PAM; Similar sites found with APoc: 183
This union binding pocket(no: 1) in the query (biounit: 4mlo.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 2BOS GLA GAL GLC None
2 2BOS GLA GAL None
3 5H9Q TD2 None
4 2D6M LBT None
5 2ET1 GLV None
6 3ZXE PGZ None
7 2QLX RM4 None
8 1OI6 TMP None
9 5JSP DQY 0.995025
10 4C01 QY9 1.08696
11 1SZO CAX 1.16732
12 4IE6 UN9 1.21212
13 1ZB6 GST 1.44928
14 1ZB6 DIN 1.44928
15 5FLJ QUE 1.6129
16 6F5W KG1 1.81159
17 1OLM VTQ 2.17391
18 6FUL E7Z 2.17391
19 5ZM4 AKG 2.17391
20 3PUR 2HG 2.17391
21 4QMN DB8 2.17391
22 5Y4K AKR 2.17391
23 3AVR OGA 2.17391
24 6MPT C30 2.17391
25 1Q23 FUA 2.28311
26 2NNQ T4B 2.29008
27 4QM9 CYS 2.31214
28 1V9T SIN ALA PRO ALA NIT 2.40964
29 1YRX FMN 2.47934
30 5H9P TD2 2.53165
31 5L13 6ZE 2.53623
32 4QXB OGA 2.53623
33 4PIO SAH 2.53623
34 1OFZ FUC 2.53623
35 1QIN GIP 2.73224
36 4G7A AZM 2.82258
37 4COQ SAN 2.83401
38 5NW7 9C2 2.89855
39 4BVA T3 2.89855
40 3OZ2 OZ2 2.89855
41 2OFV 242 2.89855
42 4V24 GYR 2.89855
43 5UWA 8ND 2.95567
44 5I0U DCY 3
45 3AMN CBI 3.01887
46 3AMN CBK 3.01887
47 3PFG TLO 3.04183
48 3PFG SAM 3.04183
49 2AGC DAO 3.08642
50 1DMY AZM 3.22581
51 5A3T MMK 3.26087
52 4EE7 PIS 3.26087
53 2PYW ADP 3.26087
54 1YKD CMP 3.26087
55 2FCU AKG 3.26087
56 3HAV ATP 3.26087
57 4ZU4 4TG 3.37838
58 2VQ5 HBA 3.48259
59 3X01 AMP 3.56234
60 3HX3 RET 3.62319
61 4P7X YCP 3.62319
62 4P7X AKG 3.62319
63 3PQB VGP 3.62319
64 3E8N VRA 3.62319
65 3E8N ATP 3.62319
66 1T27 PCW 3.69004
67 1LN1 DLP 3.73832
68 2P7Q GG6 3.7594
69 3WG3 A2G GAL NAG FUC 3.93258
70 2AXR ABL 3.98551
71 1XRO LEU 3.98551
72 3ZDS HQ9 3.98551
73 4M1U A2G MBG 3.98551
74 5JFS 6K0 3.98551
75 5YB7 ORN 3.98551
76 5YB7 FAD 3.98551
77 3ZDS M8O 3.98551
78 3W8X FAD 3.98551
79 3ZDS OMD 3.98551
80 5ML3 DL3 4.02685
81 4OCT AKG 4.05405
82 2E56 MYR 4.16667
83 3STD MQ0 4.24242
84 2XMY CDK 4.34783
85 5GLT BGC GAL NAG GAL 4.34783
86 4GN8 ASO 4.34783
87 4OPC PGT 4.34783
88 4ZXA H8N 4.34783
89 4JH6 FCN 4.34783
90 3FW3 ETS 4.51128
91 5T7I LAT NAG GAL 4.51613
92 3SCH TB6 4.54545
93 4Q0P 0MK 4.61538
94 2QL9 CIT 4.62428
95 6FA4 D1W 4.62428
96 6F6D AKG 4.71014
97 3P3N AKG 4.71014
98 5FP3 3JI 4.71014
99 2Y0I AKG 4.71014
100 1H2M OGA 4.71014
101 1H2K OGA 4.71014
102 4B7E OGA 4.71014
103 2XUM OGA 4.71014
104 5AE2 FYC 4.71014
105 5AE2 FAD 4.71014
106 5KD6 LBU 4.71014
107 5KD6 6C7 4.71014
108 2WA4 069 4.71014
109 1J3R 6PG 4.73684
110 3KFC 61X 4.74308
111 5LXB 7A9 4.95868
112 4JGP PYR 5.06912
113 1VYP TNF 5.07246
114 1OS7 AKG 5.07246
115 4D52 GIV 5.07246
116 3Q60 ATP 5.07246
117 4F4P 0SB 5.12821
118 2HFN FMN 5.22876
119 5E2N V14 5.32319
120 5JWP AKG 5.7971
121 6A63 LAT 5.7971
122 2XVD AS6 5.7971
123 5KO1 6UY 5.7971
124 4WOE ADP 5.7971
125 3WUC GLC GAL 5.83942
126 5TPV TYD 5.88235
127 1SZ0 M6P 6.15942
128 2GJ5 VD3 6.17284
129 4LA7 A1O 6.21762
130 3SAO DBH 6.25
131 5F3I 5UJ 6.52174
132 5FWE OGA 6.52174
133 5LY2 OGA 6.52174
134 2YBP 2HG 6.52174
135 2Q8E OGA 6.52174
136 2OS2 OGA 6.52174
137 5MBC FMN 6.52174
138 2P5B OGA 6.52174
139 3WUD GLC GAL 6.61765
140 5B09 4MX 6.73077
141 1HG4 LPP 6.88406
142 6D6L FY4 7.05882
143 3O2K DST 7.24638
144 1A78 TDG 7.46269
145 2CIR BG6 7.6087
146 1PN0 FAD 7.6087
147 5HWO HMG 7.6087
148 1M6P M6P 7.89474
149 1IS3 LAT 8.14815
150 1IND EOT 8.40708
151 3WW2 LPK 8.59375
152 4P5Z Q7M 8.69565
153 1DZK PRZ 8.9172
154 5Y72 DST 9.05797
155 5FP4 YC8 9.78261
156 1Z03 OCH 9.78261
157 4N70 2HX 9.78261
158 6GNO XDI 10.3704
159 1X0P FAD 10.4895
160 4XCB AKG 10.728
161 4XCB HY0 10.728
162 3VQ2 LP4 LP5 MYR DAO 10.8696
163 4MPO AMP 11.1111
164 2GC0 PAN 11.7021
165 3OPT AKG 11.9565
166 1I06 TZL 12.2222
167 1UNB AKG 12.3188
168 1UNB PN1 12.3188
169 3OYW TDG 12.6866
170 5TZO 7V7 12.766
171 1SLT NDG GAL 13.4328
172 3E2M E2M 13.5135
173 1E8G FCR 13.7681
174 1E8G FAD 13.7681
175 4LIT AKG 15.5797
176 5N0L ILE 15.7233
177 3QP8 HL0 15.7609
178 3QUZ QUV 17.1717
179 3G08 FEE 17.1717
180 5IH9 6BF 21.7391
181 2X34 UQ8 22.0994
182 2X32 OTP 22.905
183 4WVW SLT 25
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