Receptor
PDB id Resolution Class Description Source Keywords
2X0U 1.6 Å NON-ENZYME: BINDING STRUCTURE OF THE P53 CORE DOMAIN MUTANT Y220C BOUND TO A 2-A SUBSTITUTED BENZOTHIAZOLE SCAFFOLD HOMO SAPIENS ACTIVATOR TRANSCRIPTION REGULATION TRANSCRIPTION FACTOR LFRAUMENI DRUG DISCOVERY SURFACE CREVICE TUMOR SUPPRESSORSTABILIZATION TRANSCRIPTION METAL BINDING CANCER APOPTOCYCLE
Ref.: TOWARD THE RATIONAL DESIGN OF P53-STABILIZING DRUGS THE SURFACE OF THE ONCOGENIC Y220C MUTANT. CHEM.BIOL. V. 17 46 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
X0U B:1291;
 Valid;
 none;
 submit data
208.237 C9 H8 N2 O2 S c1c2c...
ZN A:1300;
B:1300;
 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
6SI3 1.4 Å NON-ENZYME: BINDING P53 CANCER MUTANT Y220S IN COMPLEX WITH SMALL-MOLECULE STABI PK9301 HOMO SAPIENS P53 TRANSCRIPTION FACTOR TUMOR SUPPRESSOR CANCER THERAPYONCOGENIC MUTANT PROTEIN MISFOLDING DNA-BINDING DOMAIN DSURFACE CREVICE SMALL-MOLECULE STABILIZER MUTANT P53 RESCBINDING PROTEIN
Ref.: TARGETING CAVITY-CREATING P53 CANCER MUTATIONS WITH SMALL-MOLECULE STABILIZERS: THE Y220X PARADIGM. ACS CHEM.BIOL. V. 15 657 2020
Members (40)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 2X0W - X0W C10 H11 N O2 S Cc1nc2cc(c....
2 4AGM Kd = 105 uM P86 C16 H24 I2 N2 O CCN(CC)C1C....
3 5AB9 Kd = 470 uM 92O C15 H20 N2 CCc1cccc2c....
4 6GGE - EYE C21 H23 N2 S CCn1c2ccc(....
5 2X0V - X0V C7 H7 F3 N2 c1cc(c(cc1....
6 5O1A Kd = 30 uM 9H5 C16 H17 I2 N3 O2 CN1CCN(CC1....
7 5G4O Kd = 37.2 uM O80 C17 H17 F3 N2 CN(C)Cc1cc....
8 5O1F Kd = 30 uM 9GQ C15 H16 I N O4 CCCCOc1cc(....
9 5AOJ Kd = 21 uM Y0V C11 H7 I2 N O3 c1ccn(c1)c....
10 6GGF - EXQ C21 H23 N2 S CCn1c2ccc(....
11 5O1G Kd = 116 uM 9GK C19 H16 I N O4 c1ccc(cc1)....
12 5O1I Kd = 4 uM 9GH C16 H16 I N3 O3 S CCN(CC)c1n....
13 5AOL Kd = 4800 uM UFV C7 H6 Br F3 N2 c1c(cc(c(c....
14 6GGC - EXN C20 H21 N2 O CCn1c2ccc(....
15 5AOI Kd = 940 uM RZH C13 H17 Br N2 CCc1cc(cc2....
16 5O1D Kd = 22 uM 9GW C14 H14 I N O4 CCCOc1cc(c....
17 4AGP Kd = 20.6 uM P51 C25 H31 I N2 O2 CCN(CC)C1C....
18 6SI4 Kd = 5.9 uM LEK C19 H19 N3 S CCn1c2ccc(....
19 3ZME - QC5 C17 H19 F N4 CN(C)CCn1c....
20 5AOK - GOH C11 H10 N6 O c1ccn(c1)c....
21 6SI3 Kd = 4 uM LEB C16 H14 Br F3 N2 CNCc1ccc2c....
22 5A7B Kd = 271 uM KMN C27 H32 N2 O2 CCN(CC)C1C....
23 5ABA Kd = 1040 uM UL7 C17 H24 Br Cl N2 O2 c1c(cc(c(c....
24 6GGD - EYB C19 H20 N3 O CCn1c2ccc(....
25 2VUK Kd = 125 uM P83 C16 H18 N2 CCn1c2cccc....
26 4AGQ Kd = 9.7 uM P96 C25 H32 I N3 O CCN(CC)C1C....
27 5O1E Kd = 33 uM 9GT C14 H12 I N O4 C=CCOc1cc(....
28 4AGN Kd = 107 uM NXG C19 H27 I N2 O2 CCN(CC)C1C....
29 6GGA - EY2 C16 H18 Br N2 CCn1c2ccc(....
30 5O1B Kd = 20 uM 9H2 C11 H9 I2 N O2 c1ccn(c1)c....
31 5AOM Kd = 1270 uM FY8 C12 H15 Cl N2 O2 c1cc(c(cc1....
32 2X0U - X0U C9 H8 N2 O2 S c1c2c(cc3c....
33 4AGO Kd = 15.5 uM P74 C24 H36 I N3 O3 CCN(CC)C1C....
34 5O1C Kd = 113 uM 9GZ C17 H11 F I N O3 c1ccn(c1)c....
35 5G4N Kd = 101 uM O83 C16 H16 F2 N2 CNCc1ccc2c....
36 6GGB - EXQ C21 H23 N2 S CCn1c2ccc(....
37 5O1H Kd = 14 uM 9GN C14 H14 I N O3 S CCCSc1cc(c....
38 4AGL Kd = 225 uM P84 C14 H20 I2 N2 O CN1CCC(CC1....
39 6SI0 Kd = 5.3 uM LEK C19 H19 N3 S CCn1c2ccc(....
40 5G4M Kd = 138 uM O82 C16 H17 F N2 CNCc1ccc2c....
70% Homology Family (40)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 2X0W - X0W C10 H11 N O2 S Cc1nc2cc(c....
2 4AGM Kd = 105 uM P86 C16 H24 I2 N2 O CCN(CC)C1C....
3 5AB9 Kd = 470 uM 92O C15 H20 N2 CCc1cccc2c....
4 6GGE - EYE C21 H23 N2 S CCn1c2ccc(....
5 2X0V - X0V C7 H7 F3 N2 c1cc(c(cc1....
6 5O1A Kd = 30 uM 9H5 C16 H17 I2 N3 O2 CN1CCN(CC1....
7 5G4O Kd = 37.2 uM O80 C17 H17 F3 N2 CN(C)Cc1cc....
8 5O1F Kd = 30 uM 9GQ C15 H16 I N O4 CCCCOc1cc(....
9 5AOJ Kd = 21 uM Y0V C11 H7 I2 N O3 c1ccn(c1)c....
10 6GGF - EXQ C21 H23 N2 S CCn1c2ccc(....
11 5O1G Kd = 116 uM 9GK C19 H16 I N O4 c1ccc(cc1)....
12 5O1I Kd = 4 uM 9GH C16 H16 I N3 O3 S CCN(CC)c1n....
13 5AOL Kd = 4800 uM UFV C7 H6 Br F3 N2 c1c(cc(c(c....
14 6GGC - EXN C20 H21 N2 O CCn1c2ccc(....
15 5AOI Kd = 940 uM RZH C13 H17 Br N2 CCc1cc(cc2....
16 5O1D Kd = 22 uM 9GW C14 H14 I N O4 CCCOc1cc(c....
17 4AGP Kd = 20.6 uM P51 C25 H31 I N2 O2 CCN(CC)C1C....
18 6SI4 Kd = 5.9 uM LEK C19 H19 N3 S CCn1c2ccc(....
19 3ZME - QC5 C17 H19 F N4 CN(C)CCn1c....
20 5AOK - GOH C11 H10 N6 O c1ccn(c1)c....
21 6SI3 Kd = 4 uM LEB C16 H14 Br F3 N2 CNCc1ccc2c....
22 5A7B Kd = 271 uM KMN C27 H32 N2 O2 CCN(CC)C1C....
23 5ABA Kd = 1040 uM UL7 C17 H24 Br Cl N2 O2 c1c(cc(c(c....
24 6GGD - EYB C19 H20 N3 O CCn1c2ccc(....
25 2VUK Kd = 125 uM P83 C16 H18 N2 CCn1c2cccc....
26 4AGQ Kd = 9.7 uM P96 C25 H32 I N3 O CCN(CC)C1C....
27 5O1E Kd = 33 uM 9GT C14 H12 I N O4 C=CCOc1cc(....
28 4AGN Kd = 107 uM NXG C19 H27 I N2 O2 CCN(CC)C1C....
29 6GGA - EY2 C16 H18 Br N2 CCn1c2ccc(....
30 5O1B Kd = 20 uM 9H2 C11 H9 I2 N O2 c1ccn(c1)c....
31 5AOM Kd = 1270 uM FY8 C12 H15 Cl N2 O2 c1cc(c(cc1....
32 2X0U - X0U C9 H8 N2 O2 S c1c2c(cc3c....
33 4AGO Kd = 15.5 uM P74 C24 H36 I N3 O3 CCN(CC)C1C....
34 5O1C Kd = 113 uM 9GZ C17 H11 F I N O3 c1ccn(c1)c....
35 5G4N Kd = 101 uM O83 C16 H16 F2 N2 CNCc1ccc2c....
36 6GGB - EXQ C21 H23 N2 S CCn1c2ccc(....
37 5O1H Kd = 14 uM 9GN C14 H14 I N O3 S CCCSc1cc(c....
38 4AGL Kd = 225 uM P84 C14 H20 I2 N2 O CN1CCC(CC1....
39 6SI0 Kd = 5.3 uM LEK C19 H19 N3 S CCn1c2ccc(....
40 5G4M Kd = 138 uM O82 C16 H17 F N2 CNCc1ccc2c....
50% Homology Family (40)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 2X0W - X0W C10 H11 N O2 S Cc1nc2cc(c....
2 4AGM Kd = 105 uM P86 C16 H24 I2 N2 O CCN(CC)C1C....
3 5AB9 Kd = 470 uM 92O C15 H20 N2 CCc1cccc2c....
4 6GGE - EYE C21 H23 N2 S CCn1c2ccc(....
5 2X0V - X0V C7 H7 F3 N2 c1cc(c(cc1....
6 5O1A Kd = 30 uM 9H5 C16 H17 I2 N3 O2 CN1CCN(CC1....
7 5G4O Kd = 37.2 uM O80 C17 H17 F3 N2 CN(C)Cc1cc....
8 5O1F Kd = 30 uM 9GQ C15 H16 I N O4 CCCCOc1cc(....
9 5AOJ Kd = 21 uM Y0V C11 H7 I2 N O3 c1ccn(c1)c....
10 6GGF - EXQ C21 H23 N2 S CCn1c2ccc(....
11 5O1G Kd = 116 uM 9GK C19 H16 I N O4 c1ccc(cc1)....
12 5O1I Kd = 4 uM 9GH C16 H16 I N3 O3 S CCN(CC)c1n....
13 5AOL Kd = 4800 uM UFV C7 H6 Br F3 N2 c1c(cc(c(c....
14 6GGC - EXN C20 H21 N2 O CCn1c2ccc(....
15 5AOI Kd = 940 uM RZH C13 H17 Br N2 CCc1cc(cc2....
16 5O1D Kd = 22 uM 9GW C14 H14 I N O4 CCCOc1cc(c....
17 4AGP Kd = 20.6 uM P51 C25 H31 I N2 O2 CCN(CC)C1C....
18 6SI4 Kd = 5.9 uM LEK C19 H19 N3 S CCn1c2ccc(....
19 3ZME - QC5 C17 H19 F N4 CN(C)CCn1c....
20 5AOK - GOH C11 H10 N6 O c1ccn(c1)c....
21 6SI3 Kd = 4 uM LEB C16 H14 Br F3 N2 CNCc1ccc2c....
22 5A7B Kd = 271 uM KMN C27 H32 N2 O2 CCN(CC)C1C....
23 5ABA Kd = 1040 uM UL7 C17 H24 Br Cl N2 O2 c1c(cc(c(c....
24 6GGD - EYB C19 H20 N3 O CCn1c2ccc(....
25 2VUK Kd = 125 uM P83 C16 H18 N2 CCn1c2cccc....
26 4AGQ Kd = 9.7 uM P96 C25 H32 I N3 O CCN(CC)C1C....
27 5O1E Kd = 33 uM 9GT C14 H12 I N O4 C=CCOc1cc(....
28 4AGN Kd = 107 uM NXG C19 H27 I N2 O2 CCN(CC)C1C....
29 6GGA - EY2 C16 H18 Br N2 CCn1c2ccc(....
30 5O1B Kd = 20 uM 9H2 C11 H9 I2 N O2 c1ccn(c1)c....
31 5AOM Kd = 1270 uM FY8 C12 H15 Cl N2 O2 c1cc(c(cc1....
32 2X0U - X0U C9 H8 N2 O2 S c1c2c(cc3c....
33 4AGO Kd = 15.5 uM P74 C24 H36 I N3 O3 CCN(CC)C1C....
34 5O1C Kd = 113 uM 9GZ C17 H11 F I N O3 c1ccn(c1)c....
35 5G4N Kd = 101 uM O83 C16 H16 F2 N2 CNCc1ccc2c....
36 6GGB - EXQ C21 H23 N2 S CCn1c2ccc(....
37 5O1H Kd = 14 uM 9GN C14 H14 I N O3 S CCCSc1cc(c....
38 4AGL Kd = 225 uM P84 C14 H20 I2 N2 O CN1CCC(CC1....
39 6SI0 Kd = 5.3 uM LEK C19 H19 N3 S CCn1c2ccc(....
40 5G4M Kd = 138 uM O82 C16 H17 F N2 CNCc1ccc2c....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: X0U; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 X0U 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: X0U; Similar ligands found: 926
No: Ligand Similarity coefficient
1 6FB 0.9775
2 AN3 0.9707
3 XCG 0.9635
4 6KT 0.9570
5 THA 0.9569
6 TMG 0.9565
7 GO2 0.9560
8 N1E 0.9552
9 3VX 0.9546
10 8ZE 0.9539
11 9R5 0.9538
12 PRL 0.9538
13 6QF 0.9531
14 ANC 0.9523
15 QIV 0.9512
16 E3X 0.9512
17 ITE 0.9507
18 ANF 0.9505
19 AA 0.9490
20 ZHA 0.9490
21 SLS 0.9487
22 5LA 0.9482
23 0JD 0.9473
24 TZF 0.9468
25 X48 0.9467
26 9FL 0.9462
27 N91 0.9459
28 HRM 0.9458
29 15E 0.9458
30 BZJ 0.9454
31 MSR 0.9452
32 2FX 0.9450
33 4I8 0.9448
34 4BY 0.9443
35 DRG 0.9442
36 9CA 0.9442
37 BZ2 0.9438
38 ICB 0.9434
39 KMY 0.9434
40 EN1 0.9434
41 CH9 0.9432
42 JAH 0.9429
43 ESX 0.9428
44 CPZ 0.9426
45 BP7 0.9425
46 15N 0.9425
47 1HN 0.9425
48 KTJ 0.9424
49 4RU 0.9423
50 1IT 0.9419
51 HBO 0.9416
52 GJP 0.9412
53 E7S 0.9407
54 HX4 0.9406
55 BQ2 0.9402
56 A7H 0.9401
57 Y3L 0.9399
58 3VS 0.9396
59 K97 0.9396
60 3R4 0.9396
61 ESP 0.9392
62 A5E 0.9391
63 BGU 0.9390
64 JG8 0.9390
65 F4E 0.9389
66 1F1 0.9387
67 5TY 0.9381
68 N2I 0.9381
69 BIK 0.9380
70 S60 0.9380
71 27B 0.9379
72 363 0.9376
73 GVY 0.9375
74 E1T 0.9373
75 FF2 0.9372
76 795 0.9372
77 94W 0.9372
78 BNL 0.9372
79 4HB 0.9369
80 PPY 0.9361
81 428 0.9354
82 3QV 0.9353
83 SNU 0.9353
84 9ZE 0.9352
85 EYV 0.9352
86 ZYR 0.9350
87 K7H 0.9348
88 2QC 0.9346
89 X0W 0.9346
90 FQX 0.9344
91 4NB 0.9343
92 F4K 0.9342
93 BPY 0.9340
94 J6W 0.9339
95 0HN 0.9339
96 PJW 0.9337
97 S0E 0.9332
98 MD6 0.9328
99 ALE 0.9327
100 UNJ 0.9327
101 0BP 0.9326
102 3ZB 0.9324
103 FZM 0.9322
104 0FR 0.9322
105 LQ2 0.9320
106 KDV 0.9319
107 1Z6 0.9318
108 36Y 0.9317
109 4JQ 0.9314
110 1A7 0.9313
111 4LW 0.9312
112 JAW 0.9310
113 FDR 0.9307
114 8XL 0.9307
115 SNO 0.9307
116 C1M 0.9306
117 SWX 0.9303
118 92G 0.9294
119 3J8 0.9293
120 2ZM 0.9292
121 0NX 0.9291
122 4BL 0.9291
123 344 0.9289
124 5NI 0.9288
125 RA7 0.9288
126 CWJ 0.9288
127 0HO 0.9287
128 C53 0.9286
129 12T 0.9285
130 6NT 0.9281
131 FHC 0.9278
132 L22 0.9275
133 2K8 0.9273
134 6RQ 0.9270
135 4YO 0.9270
136 MQN 0.9265
137 6NI 0.9265
138 IWT 0.9263
139 6FZ 0.9262
140 68A 0.9260
141 5QY 0.9258
142 KTW 0.9256
143 JBZ 0.9256
144 ENO 0.9255
145 92P 0.9254
146 OQC 0.9254
147 C2Y 0.9253
148 GZ2 0.9252
149 3NY 0.9252
150 A5H 0.9252
151 I3E 0.9249
152 0SY 0.9249
153 2PK 0.9249
154 1KP 0.9249
155 GNM 0.9249
156 PEY 0.9249
157 AOT 0.9247
158 2PV 0.9246
159 RNO 0.9245
160 9UL 0.9244
161 XDK 0.9244
162 E1K 0.9244
163 N0Z 0.9243
164 3VQ 0.9242
165 M4E 0.9241
166 PH2 0.9241
167 BZE 0.9241
168 ESI 0.9241
169 L14 0.9238
170 S0D 0.9231
171 0TU 0.9228
172 P9E 0.9226
173 HA5 0.9225
174 M78 0.9225
175 4V2 0.9224
176 4WL 0.9222
177 IAC 0.9222
178 4XF 0.9221
179 PNZ 0.9216
180 MPV 0.9214
181 F2W 0.9213
182 2WU 0.9211
183 3A9 0.9211
184 0FK 0.9210
185 AJY 0.9210
186 HNT 0.9210
187 2FQ 0.9210
188 5GV 0.9202
189 TGX 0.9202
190 H4B 0.9201
191 JCZ 0.9201
192 S98 0.9201
193 CK2 0.9201
194 N8Y 0.9200
195 V1T 0.9200
196 3PF 0.9199
197 657 0.9198
198 G14 0.9196
199 SQ4 0.9196
200 D48 0.9193
201 YZM 0.9193
202 R9Y 0.9192
203 J9Q 0.9192
204 VC3 0.9190
205 7VP 0.9189
206 LR8 0.9188
207 TYL 0.9184
208 8NB 0.9180
209 1VK 0.9180
210 NAG 0.9179
211 97T 0.9179
212 SKF 0.9177
213 8HC 0.9177
214 SQ7 0.9176
215 ANN 0.9175
216 PIM 0.9173
217 ZYQ 0.9171
218 ZRK 0.9171
219 BVA 0.9170
220 2HU 0.9170
221 LNR 0.9170
222 6TZ 0.9168
223 2LY 0.9167
224 30G 0.9165
225 JDN 0.9165
226 JP2 0.9165
227 ODK 0.9165
228 A7N 0.9164
229 JB8 0.9162
230 ZSP 0.9159
231 CXH 0.9158
232 36E 0.9158
233 3AE 0.9156
234 L99 0.9156
235 EUE 0.9152
236 2HC 0.9151
237 1M2 0.9151
238 5GT 0.9149
239 HHS 0.9145
240 XIY 0.9144
241 ARP 0.9143
242 ABI 0.9141
243 MS9 0.9139
244 56D 0.9139
245 H5B 0.9138
246 EVF 0.9138
247 A29 0.9137
248 FCD 0.9137
249 8W9 0.9136
250 C82 0.9135
251 B1J 0.9135
252 WS7 0.9134
253 R20 0.9131
254 4P5 0.9129
255 4BZ 0.9129
256 DNA 0.9129
257 AES 0.9127
258 J9N 0.9127
259 HNK 0.9126
260 HNL 0.9126
261 IOP 0.9125
262 PIY 0.9120
263 LR5 0.9120
264 HHR 0.9118
265 ZEC 0.9117
266 KJU 0.9116
267 DDU 0.9115
268 PHE 0.9115
269 TXW 0.9113
270 MXD 0.9112
271 4TU 0.9111
272 5VL 0.9109
273 DPT 0.9107
274 EXD 0.9105
275 4ZA 0.9104
276 QBP 0.9103
277 N2M 0.9103
278 BZ3 0.9102
279 9BF 0.9101
280 1L5 0.9100
281 KLS 0.9099
282 GF4 0.9096
283 TCA 0.9095
284 DVQ 0.9095
285 BHS 0.9094
286 J5I 0.9094
287 2GQ 0.9093
288 ZZA 0.9090
289 G3E 0.9089
290 MAJ 0.9089
291 9NB 0.9087
292 6N4 0.9087
293 CX6 0.9082
294 PUE 0.9082
295 8MO 0.9082
296 1FE 0.9080
297 80G 0.9079
298 6SD 0.9078
299 SE2 0.9078
300 L03 0.9076
301 FUD 0.9074
302 HQJ 0.9072
303 TT4 0.9071
304 E5X 0.9071
305 2P3 0.9068
306 54X 0.9065
307 1ZC 0.9064
308 78Y 0.9064
309 M5H 0.9063
310 TCR 0.9063
311 9FE 0.9062
312 PO6 0.9061
313 XDE 0.9061
314 GO8 0.9060
315 LL1 0.9059
316 L5V 0.9058
317 GVG 0.9058
318 TYR 0.9057
319 7O4 0.9055
320 61M 0.9054
321 2JX 0.9053
322 JMG 0.9051
323 VXX 0.9051
324 2J1 0.9050
325 KLE 0.9048
326 2BG 0.9047
327 N4E 0.9045
328 FBB 0.9045
329 KYA 0.9045
330 OTR 0.9044
331 LDP 0.9042
332 BPN 0.9039
333 5GU 0.9037
334 SYV 0.9037
335 BPU 0.9037
336 4NZ 0.9034
337 M3H 0.9033
338 ERZ 0.9033
339 JA5 0.9033
340 HIS 0.9032
341 CNI 0.9032
342 7FU 0.9031
343 5E5 0.9031
344 K4V 0.9028
345 2D2 0.9028
346 5OB 0.9027
347 H42 0.9026
348 BA5 0.9026
349 36M 0.9026
350 IOS 0.9025
351 6ME 0.9022
352 P81 0.9022
353 7MW 0.9021
354 X11 0.9019
355 8D6 0.9019
356 4NP 0.9018
357 AMH 0.9016
358 DQU 0.9013
359 5XC 0.9010
360 M45 0.9009
361 LUM 0.9008
362 8WO 0.9007
363 8NX 0.9007
364 RKV 0.9007
365 D3G 0.9007
366 M3E 0.9007
367 HDH 0.9006
368 0FN 0.9006
369 ODO 0.9006
370 TSS 0.9005
371 HC4 0.9004
372 9KZ 0.9004
373 LO1 0.9003
374 LZ5 0.9001
375 M6Z 0.9000
376 4FF 0.9000
377 G12 0.8999
378 0UL 0.8998
379 2O6 0.8998
380 0OK 0.8998
381 A2G 0.8998
382 K2T 0.8997
383 WS6 0.8997
384 AJG 0.8996
385 XIZ 0.8994
386 0F9 0.8993
387 I2E 0.8993
388 S7J 0.8992
389 AJV 0.8990
390 4AB 0.8989
391 AH9 0.8988
392 DHC 0.8986
393 5SJ 0.8985
394 IQ5 0.8983
395 FBF 0.8983
396 5RO 0.8982
397 3W8 0.8982
398 44W 0.8981
399 H4E 0.8980
400 SJK 0.8978
401 YZ9 0.8977
402 27K 0.8976
403 ES2 0.8976
404 39O 0.8976
405 8WT 0.8975
406 RSV 0.8974
407 4AA 0.8971
408 AJ1 0.8971
409 AP4 0.8971
410 BIO 0.8971
411 3XR 0.8970
412 52C 0.8969
413 2KA 0.8968
414 D2G 0.8968
415 OW7 0.8968
416 NDG 0.8966
417 KW8 0.8963
418 GZL 0.8963
419 HBI 0.8960
420 H2B 0.8960
421 CSN 0.8960
422 PRF 0.8959
423 W81 0.8959
424 JF1 0.8959
425 0N7 0.8957
426 6P3 0.8957
427 4MB 0.8956
428 GDL 0.8955
429 WV7 0.8955
430 SN4 0.8955
431 ZME 0.8954
432 QME 0.8953
433 OTW 0.8953
434 537 0.8953
435 JYB 0.8953
436 NCT 0.8952
437 B62 0.8951
438 TTL 0.8951
439 MVN 0.8951
440 F02 0.8950
441 4LV 0.8950
442 KBZ 0.8950
443 4NM 0.8949
444 5TT 0.8949
445 QX4 0.8948
446 LGT 0.8946
447 F9Y 0.8945
448 NDD 0.8943
449 CLZ 0.8942
450 0W1 0.8942
451 A5Q 0.8942
452 LJ3 0.8941
453 44V 0.8941
454 549 0.8941
455 CFA 0.8940
456 259 0.8940
457 FMQ 0.8937
458 PMP 0.8934
459 4FS 0.8932
460 2HQ 0.8931
461 03V 0.8931
462 IV2 0.8930
463 OA1 0.8929
464 XI7 0.8928
465 0FO 0.8928
466 209 0.8927
467 9AP 0.8926
468 HQD 0.8926
469 492 0.8925
470 1P8 0.8925
471 VGD 0.8924
472 HCI 0.8924
473 3Y7 0.8923
474 JB5 0.8923
475 4CM 0.8921
476 ET2 0.8920
477 M1Z 0.8919
478 CLW 0.8919
479 ES5 0.8918
480 JND 0.8916
481 DNQ 0.8913
482 R2P 0.8913
483 XHP 0.8912
484 MUK 0.8911
485 BEA 0.8911
486 INO 0.8910
487 AM4 0.8910
488 G6P 0.8906
489 SKA 0.8906
490 JA8 0.8904
491 YE6 0.8903
492 4CN 0.8902
493 TRP 0.8899
494 KYN 0.8898
495 QMR 0.8897
496 AZ9 0.8897
497 JLZ 0.8895
498 WSD 0.8894
499 JTA 0.8894
500 5V7 0.8894
501 N7I 0.8894
502 833 0.8893
503 1DR 0.8893
504 N2Z 0.8892
505 COU 0.8891
506 5VM 0.8890
507 PLP 0.8890
508 CKA 0.8889
509 ONR 0.8888
510 4JE 0.8887
511 DIN 0.8886
512 8U3 0.8885
513 CTL 0.8885
514 J9T 0.8885
515 ASC 0.8884
516 MRW 0.8883
517 M2K 0.8883
518 MP5 0.8881
519 LDR 0.8881
520 OCH 0.8881
521 6MW 0.8880
522 NDH 0.8878
523 TIY 0.8877
524 HHI 0.8877
525 50C 0.8877
526 173 0.8876
527 FHV 0.8876
528 BGC 0.8876
529 MPK 0.8875
530 AY4 0.8873
531 ROI 0.8872
532 36R 0.8872
533 2AQ 0.8872
534 GNV 0.8871
535 DE5 0.8871
536 4KL 0.8869
537 J38 0.8869
538 QBS 0.8866
539 DX3 0.8863
540 4AU 0.8863
541 P7Y 0.8861
542 OLU 0.8859
543 PH3 0.8858
544 4NS 0.8857
545 RYV 0.8856
546 B21 0.8855
547 0XT 0.8855
548 LOT 0.8854
549 86J 0.8854
550 AMR 0.8854
551 YE7 0.8853
552 JGB 0.8853
553 K3D 0.8853
554 DNF 0.8852
555 LVD 0.8851
556 PQS 0.8851
557 CIY 0.8850
558 EE8 0.8849
559 D9Z 0.8848
560 4JC 0.8848
561 FER 0.8845
562 7MX 0.8843
563 AZM 0.8843
564 JF2 0.8842
565 EWG 0.8840
566 W29 0.8840
567 A5P 0.8839
568 2JK 0.8837
569 F31 0.8836
570 7W1 0.8836
571 MR1 0.8836
572 DHB 0.8835
573 M4S 0.8835
574 QUS 0.8834
575 YTX 0.8832
576 4BX 0.8830
577 8G6 0.8830
578 FA0 0.8830
579 JRB 0.8829
580 5B2 0.8829
581 AEH 0.8829
582 LT2 0.8827
583 P80 0.8827
584 5VU 0.8826
585 069 0.8826
586 PIQ 0.8826
587 BBK 0.8825
588 42J 0.8825
589 TID 0.8824
590 Q0K 0.8824
591 B56 0.8823
592 ICO 0.8823
593 F5C 0.8822
594 A7W 0.8821
595 5H6 0.8821
596 4FA 0.8819
597 BHQ 0.8818
598 KUF 0.8818
599 93K 0.8817
600 S7S 0.8815
601 ZYX 0.8814
602 H33 0.8813
603 4FE 0.8811
604 BGP 0.8811
605 HBD 0.8811
606 VNL 0.8808
607 V2Z 0.8807
608 HRD 0.8804
609 KLV 0.8803
610 PNP 0.8803
611 7ME 0.8802
612 HL4 0.8802
613 HPP 0.8802
614 5RN 0.8802
615 UFO 0.8802
616 5OO 0.8800
617 4HM 0.8800
618 5WT 0.8800
619 JF8 0.8800
620 NRA 0.8800
621 KJH 0.8799
622 SRO 0.8799
623 NNO 0.8799
624 12Q 0.8798
625 6ZW 0.8796
626 S8A 0.8796
627 FHB 0.8795
628 4ME 0.8795
629 28A 0.8794
630 SG2 0.8794
631 PQM 0.8792
632 6VD 0.8791
633 4MU 0.8790
634 VUP 0.8789
635 LEL 0.8787
636 L1T 0.8786
637 CHQ 0.8785
638 DAH 0.8785
639 TWO 0.8785
640 Z82 0.8784
641 26C 0.8782
642 4GU 0.8780
643 92K 0.8779
644 HJ7 0.8779
645 DTY 0.8778
646 DXK 0.8777
647 PHB 0.8775
648 F40 0.8774
649 OCZ 0.8773
650 VM1 0.8773
651 2HO 0.8773
652 P9P 0.8773
653 MR6 0.8772
654 B4O 0.8771
655 4NC 0.8771
656 XAZ 0.8769
657 LFN 0.8768
658 DMD 0.8768
659 GB5 0.8768
660 5WV 0.8767
661 K44 0.8767
662 Z5P 0.8766
663 BZQ 0.8765
664 ZEA 0.8764
665 HNM 0.8764
666 RUY 0.8763
667 5QX 0.8762
668 3ID 0.8762
669 GOE 0.8762
670 NPO 0.8761
671 WUB 0.8760
672 5F8 0.8760
673 PAB 0.8759
674 URC 0.8758
675 1PS 0.8757
676 A6W 0.8757
677 7EH 0.8756
678 4A3 0.8756
679 HQT 0.8755
680 K3Q 0.8754
681 EV2 0.8754
682 TOF 0.8752
683 PBA 0.8751
684 5F5 0.8749
685 535 0.8749
686 SOR 0.8747
687 9JT 0.8747
688 E0O 0.8747
689 Z21 0.8747
690 TJM 0.8745
691 TIA 0.8745
692 ZRL 0.8744
693 AAN 0.8744
694 IHB 0.8742
695 3HM 0.8742
696 5AD 0.8742
697 DCZ 0.8741
698 JRO 0.8739
699 EA1 0.8739
700 4M0 0.8738
701 8TX 0.8737
702 CHB 0.8737
703 MYJ 0.8737
704 1QV 0.8736
705 K82 0.8735
706 PD2 0.8734
707 DOB 0.8733
708 K25 0.8733
709 4JT 0.8733
710 PCS 0.8733
711 4MA 0.8731
712 GHM 0.8730
713 IBP 0.8730
714 URO 0.8730
715 3D8 0.8729
716 DK1 0.8728
717 EZL 0.8727
718 K34 0.8724
719 F18 0.8723
720 CTE 0.8723
721 P72 0.8721
722 II4 0.8719
723 2F6 0.8719
724 I3A 0.8717
725 1EB 0.8716
726 GNY 0.8716
727 L15 0.8716
728 PBZ 0.8716
729 NGA 0.8715
730 GLC 0.8714
731 CFI 0.8714
732 3W6 0.8713
733 8CC 0.8713
734 3W3 0.8713
735 YRL 0.8712
736 22L 0.8710
737 FTV 0.8709
738 6X9 0.8708
739 DUR 0.8707
740 BHO 0.8706
741 J1K 0.8706
742 GLO 0.8705
743 XFE 0.8705
744 HNH 0.8705
745 7MU 0.8705
746 P4L 0.8704
747 3SU 0.8701
748 0DF 0.8701
749 1XS 0.8700
750 ISZ 0.8699
751 27M 0.8699
752 QSB 0.8699
753 INE 0.8699
754 Z13 0.8698
755 52F 0.8698
756 EMZ 0.8697
757 3VW 0.8697
758 PXL 0.8696
759 XRS 0.8696
760 9TF 0.8695
761 3R6 0.8694
762 TTY 0.8693
763 DT7 0.8691
764 U13 0.8691
765 GWM 0.8690
766 X0V 0.8689
767 9TW 0.8686
768 FWD 0.8686
769 RD4 0.8685
770 BHA 0.8685
771 4Z4 0.8685
772 1FL 0.8684
773 1WC 0.8683
774 GC2 0.8682
775 GDE 0.8682
776 0P6 0.8682
777 5CU 0.8681
778 A9B 0.8678
779 HH6 0.8678
780 2AK 0.8678
781 K22 0.8678
782 9KT 0.8676
783 AX7 0.8676
784 55D 0.8675
785 CWS 0.8675
786 174 0.8675
787 47V 0.8675
788 6L6 0.8670
789 LI6 0.8670
790 PQK 0.8668
791 OVM 0.8666
792 AC6 0.8665
793 IQZ 0.8664
794 PDC 0.8664
795 2LW 0.8663
796 6E8 0.8663
797 BBY 0.8663
798 HFA 0.8662
799 3D1 0.8662
800 9FH 0.8658
801 M1Q 0.8658
802 MUA 0.8657
803 ABV 0.8657
804 20J 0.8657
805 ES7 0.8656
806 8CM 0.8656
807 NIZ 0.8655
808 KP2 0.8653
809 J9W 0.8653
810 PHU 0.8652
811 4G2 0.8651
812 BTY 0.8650
813 EQW 0.8650
814 1Y6 0.8649
815 K32 0.8648
816 PQ0 0.8648
817 IL5 0.8647
818 826 0.8647
819 5FL 0.8646
820 Q71 0.8643
821 B55 0.8642
822 39Z 0.8640
823 XQ0 0.8639
824 NE2 0.8639
825 717 0.8639
826 QWN 0.8637
827 86L 0.8634
828 L1O 0.8633
829 JY4 0.8632
830 C4E 0.8632
831 1V1 0.8630
832 SHA 0.8630
833 KKN 0.8630
834 LR2 0.8630
835 75K 0.8630
836 268 0.8630
837 OW4 0.8628
838 BVS 0.8627
839 RVE 0.8627
840 3DM 0.8627
841 3Z8 0.8626
842 92O 0.8626
843 APS 0.8625
844 9CE 0.8624
845 4VY 0.8623
846 TXQ 0.8623
847 MOK 0.8623
848 72D 0.8620
849 K37 0.8620
850 5TZ 0.8619
851 0F3 0.8618
852 IPD 0.8615
853 JR2 0.8614
854 4SX 0.8614
855 54E 0.8613
856 AWE 0.8612
857 2UZ 0.8610
858 THM 0.8609
859 5RP 0.8608
860 7I2 0.8607
861 49O 0.8606
862 JU2 0.8606
863 QBK 0.8606
864 DBS 0.8604
865 28N 0.8603
866 2BX 0.8603
867 PE0 0.8602
868 B57 0.8602
869 EQU 0.8601
870 505 0.8601
871 5NS 0.8600
872 WLH 0.8600
873 4HC 0.8597
874 A73 0.8596
875 AJ2 0.8596
876 NID 0.8596
877 B5D 0.8595
878 4FH 0.8595
879 MUR 0.8594
880 397 0.8593
881 Y0V 0.8593
882 HWD 0.8592
883 2B4 0.8592
884 6HP 0.8592
885 0LO 0.8591
886 EES 0.8591
887 8IG 0.8591
888 3XH 0.8590
889 5JL 0.8589
890 5NU 0.8589
891 OA3 0.8587
892 2UD 0.8586
893 GGB 0.8585
894 ISN 0.8585
895 DHY 0.8584
896 JTH 0.8582
897 QXW 0.8582
898 EMO 0.8582
899 KT7 0.8580
900 KJY 0.8576
901 M4N 0.8575
902 Q02 0.8574
903 7B3 0.8573
904 5OR 0.8572
905 5JQ 0.8571
906 IFP 0.8569
907 APZ 0.8566
908 PQV 0.8566
909 OVP 0.8566
910 NLA 0.8561
911 SW7 0.8556
912 VFG 0.8554
913 E4P 0.8553
914 1XA 0.8551
915 FBM 0.8551
916 8V8 0.8549
917 HKD 0.8548
918 ADN 0.8545
919 AX3 0.8541
920 4FC 0.8540
921 L13 0.8536
922 EKZ 0.8534
923 MEW 0.8533
924 LFQ 0.8528
925 AQO 0.8526
926 Q24 0.8513
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6SI3; Ligand: LEB; 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: 6si3.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6SI3; Ligand: LEB; 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: 6si3.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
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