Receptor
PDB id Resolution Class Description Source Keywords
1TX2 1.83 Å EC: 2.5.1.15 DIHYDROPTEROATE SYNTHETASE, WITH BOUND INHIBITOR MANIC, FROM ANTHRACIS BACILLUS ANTHRACIS ANTHRACIS FOLATE BIOSYNTHESIS DIHYDROPTEROATE PTERINE MATRANSFERASE
Ref.: CRYSTAL STRUCTURE OF 7,8-DIHYDROPTEROATE SYNTHASE F BACILLUS ANTHRACIS; MECHANISM AND NOVEL INHIBITOR D STRUCTURE V. 12 1705 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
680 A:502;
B:501;
 Valid;
Valid;
 none;
none;
 submit data
185.141 C5 H7 N5 O3 CNC1=...
SO4 A:401;
A:404;
A:405;
A:408;
A:409;
B:402;
B:403;
B:406;
B:407;
B:410;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3H22 2.4 Å EC: 2.5.1.15 STRUCTURAL STUDIES OF PTERIN-BASED INHIBITORS OF DIHYDROPTER SYNTHASE BACILLUS ANTHRACIS STR. A2012 ANTHRACIS FOLATE BIOSYNTHESIS DIHYDROPTEROATE PTERINE TRANSFERASE TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.: STRUCTURAL STUDIES OF PTERIN-BASED INHIBITORS OF DIHYDROPTEROATE SYNTHASE. J.MED.CHEM. V. 53 166 2010
Members (25)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 4D8Z Kd = 0.51 uM 0J2 C10 H11 N5 O4 C[C@H](CC(....
2 4DB7 Kd = 0.273 uM Z25 C9 H9 N5 O4 C(CC(=O)O)....
3 4D8A - 0HY C11 H13 N5 O4 C[C@H](CC(....
4 4DAF Kd = 0.076 uM 0J4 C9 H9 N5 O4 C[C@H](C1=....
5 3H22 ic50 = 8 uM B53 C4 H5 N5 O2 C1(=C(N=C(....
6 4NIL - 2O8 C8 H6 F3 N O S c1cc(ccc1C....
7 1TX2 - 680 C5 H7 N5 O3 CNC1=C(C(=....
8 1TWW - HH2 C7 H9 N5 O8 P2 c1c(nc2c(n....
9 3TYE - XHP C7 H7 N5 O C=C1CN=C2C....
10 3H2M ic50 = 215 uM B61 C11 H17 N5 O2 CC(C)(CC1=....
11 3H24 - B55 C5 H5 N5 O S c12c([nH]c....
12 3TYC - XHP C7 H7 N5 O C=C1CN=C2C....
13 3H2F ic50 = 86.7 uM B60 C7 H9 N5 O CN1CC=NC2=....
14 1TX0 - PT1 C14 H12 N6 O3 c1cc(ccc1C....
15 3H21 ic50 = 19.8 uM B52 C10 H11 N5 O4 C[C@H](C1=....
16 4D9P ic50 = 145 uM Z17 C11 H13 N5 O4 C[C@H](CC(....
17 3H26 ic50 = 32.4 uM B56 C8 H9 N5 O3 CN1CC(=NC2....
18 3TYD - XHP C7 H7 N5 O C=C1CN=C2C....
19 4DAI Kd = 110 nM 0J5 C8 H7 N5 O4 C(C1=NNC2=....
20 4NHV - 2O6 C8 H5 F3 N2 O c1cc2c(cc1....
21 3H2N ic50 = 212.6 uM B62 C7 H11 N5 O C[C@@H]1CN....
22 4NL1 - Z13 C16 H11 F6 N c1cc(ccc1C....
23 3H23 ic50 = 19.3 uM B54 C14 H15 N5 O5 c1cc(ccc1C....
24 3H2A ic50 = 108.9 uM B57 C4 H5 N5 O3 C1(=C(N=C(....
25 4NIR - 6DH C11 H11 F3 N2 O c1cc2c(cc1....
70% Homology Family (25)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 4D8Z Kd = 0.51 uM 0J2 C10 H11 N5 O4 C[C@H](CC(....
2 4DB7 Kd = 0.273 uM Z25 C9 H9 N5 O4 C(CC(=O)O)....
3 4D8A - 0HY C11 H13 N5 O4 C[C@H](CC(....
4 4DAF Kd = 0.076 uM 0J4 C9 H9 N5 O4 C[C@H](C1=....
5 3H22 ic50 = 8 uM B53 C4 H5 N5 O2 C1(=C(N=C(....
6 4NIL - 2O8 C8 H6 F3 N O S c1cc(ccc1C....
7 1TX2 - 680 C5 H7 N5 O3 CNC1=C(C(=....
8 1TWW - HH2 C7 H9 N5 O8 P2 c1c(nc2c(n....
9 3TYE - XHP C7 H7 N5 O C=C1CN=C2C....
10 3H2M ic50 = 215 uM B61 C11 H17 N5 O2 CC(C)(CC1=....
11 3H24 - B55 C5 H5 N5 O S c12c([nH]c....
12 3TYC - XHP C7 H7 N5 O C=C1CN=C2C....
13 3H2F ic50 = 86.7 uM B60 C7 H9 N5 O CN1CC=NC2=....
14 1TX0 - PT1 C14 H12 N6 O3 c1cc(ccc1C....
15 3H21 ic50 = 19.8 uM B52 C10 H11 N5 O4 C[C@H](C1=....
16 4D9P ic50 = 145 uM Z17 C11 H13 N5 O4 C[C@H](CC(....
17 3H26 ic50 = 32.4 uM B56 C8 H9 N5 O3 CN1CC(=NC2....
18 3TYD - XHP C7 H7 N5 O C=C1CN=C2C....
19 4DAI Kd = 110 nM 0J5 C8 H7 N5 O4 C(C1=NNC2=....
20 4NHV - 2O6 C8 H5 F3 N2 O c1cc2c(cc1....
21 3H2N ic50 = 212.6 uM B62 C7 H11 N5 O C[C@@H]1CN....
22 4NL1 - Z13 C16 H11 F6 N c1cc(ccc1C....
23 3H23 ic50 = 19.3 uM B54 C14 H15 N5 O5 c1cc(ccc1C....
24 3H2A ic50 = 108.9 uM B57 C4 H5 N5 O3 C1(=C(N=C(....
25 4NIR - 6DH C11 H11 F3 N2 O c1cc2c(cc1....
50% Homology Family (46)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1AJ0 - SAN C6 H8 N2 O2 S c1cc(ccc1N....
2 5U10 - PT1 C14 H12 N6 O3 c1cc(ccc1C....
3 5U0W - 9MG C6 H7 N5 O Cn1cnc2c1n....
4 5U0V - 7VJ C5 H7 N5 O2 CNC1=C(C(=....
5 5U14 - 7PV C13 H14 N6 O3 S2 c1cc(ccc1C....
6 5U0Z - 7PM C13 H11 N5 O3 S c1ccc(cc1)....
7 5V7A - 8Y7 C8 H9 N5 O3 S Cn1c2c(nc1....
8 5U0Y - 7PJ C7 H7 N5 O3 S C(C(=O)O)S....
9 5V79 - 8Y4 C14 H14 N6 O2 S Cn1c2c(nc1....
10 5U13 - YH5 C14 H13 N5 O3 S COc1ccc(cc....
11 5U11 - 7PS C8 H10 N6 O2 S CNC(=O)CSc....
12 5U12 - 5RU C12 H10 F N5 O S c1ccc(c(c1....
13 1AJ2 - 2PH C7 H11 N5 O8 P2 C1C(=NC2=C....
14 4D8Z Kd = 0.51 uM 0J2 C10 H11 N5 O4 C[C@H](CC(....
15 4DB7 Kd = 0.273 uM Z25 C9 H9 N5 O4 C(CC(=O)O)....
16 4D8A - 0HY C11 H13 N5 O4 C[C@H](CC(....
17 4DAF Kd = 0.076 uM 0J4 C9 H9 N5 O4 C[C@H](C1=....
18 3H22 ic50 = 8 uM B53 C4 H5 N5 O2 C1(=C(N=C(....
19 4NIL - 2O8 C8 H6 F3 N O S c1cc(ccc1C....
20 1TX2 - 680 C5 H7 N5 O3 CNC1=C(C(=....
21 1TWW - HH2 C7 H9 N5 O8 P2 c1c(nc2c(n....
22 3TYE - XHP C7 H7 N5 O C=C1CN=C2C....
23 3H2M ic50 = 215 uM B61 C11 H17 N5 O2 CC(C)(CC1=....
24 3H24 - B55 C5 H5 N5 O S c12c([nH]c....
25 3TYC - XHP C7 H7 N5 O C=C1CN=C2C....
26 3H2F ic50 = 86.7 uM B60 C7 H9 N5 O CN1CC=NC2=....
27 1TX0 - PT1 C14 H12 N6 O3 c1cc(ccc1C....
28 3H21 ic50 = 19.8 uM B52 C10 H11 N5 O4 C[C@H](C1=....
29 4D9P ic50 = 145 uM Z17 C11 H13 N5 O4 C[C@H](CC(....
30 3H26 ic50 = 32.4 uM B56 C8 H9 N5 O3 CN1CC(=NC2....
31 3TYD - XHP C7 H7 N5 O C=C1CN=C2C....
32 4DAI Kd = 110 nM 0J5 C8 H7 N5 O4 C(C1=NNC2=....
33 4NHV - 2O6 C8 H5 F3 N2 O c1cc2c(cc1....
34 3H2N ic50 = 212.6 uM B62 C7 H11 N5 O C[C@@H]1CN....
35 4NL1 - Z13 C16 H11 F6 N c1cc(ccc1C....
36 3H23 ic50 = 19.3 uM B54 C14 H15 N5 O5 c1cc(ccc1C....
37 3H2A ic50 = 108.9 uM B57 C4 H5 N5 O3 C1(=C(N=C(....
38 4NIR - 6DH C11 H11 F3 N2 O c1cc2c(cc1....
39 1EYE - PMM C7 H8 N5 O5 P c1c(nc2c(n....
40 1AD4 - HH2 C7 H9 N5 O8 P2 c1c(nc2c(n....
41 6CLV - 6MB C18 H18 N8 O4 S Cc1c(noc1N....
42 2VEG - PMM C7 H8 N5 O5 P c1c(nc2c(n....
43 3TYZ - PAB C7 H7 N O2 c1cc(ccc1C....
44 3TZF - HH2 C7 H9 N5 O8 P2 c1c(nc2c(n....
45 5JQ9 - 6MB C18 H18 N8 O4 S Cc1c(noc1N....
46 2Y5S - 78H C14 H14 N6 O3 c1cc(ccc1C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 680; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 680 1 1
2 B57 0.5 0.966102
3 7VJ 0.458333 0.881356
Similar Ligands (3D)
Ligand no: 1; Ligand: 680; Similar ligands found: 824
No: Ligand Similarity coefficient
1 BGC 0.9783
2 8S0 0.9746
3 G3F 0.9728
4 NDM 0.9706
5 GCS 0.9667
6 DPZ 0.9647
7 ZVO 0.9620
8 GLC 0.9613
9 TEP 0.9601
10 AEZ 0.9567
11 B53 0.9561
12 PYQ 0.9561
13 3MG 0.9553
14 NTZ 0.9548
15 6M1 0.9535
16 GRE 0.9525
17 FDB 0.9519
18 LGC 0.9519
19 UEG 0.9518
20 B60 0.9514
21 KIA 0.9510
22 KIB 0.9510
23 12B 0.9497
24 SHG 0.9493
25 6F0 0.9487
26 AJ2 0.9483
27 NQ 0.9483
28 Q24 0.9482
29 MAQ 0.9481
30 PE0 0.9474
31 M5K 0.9469
32 VK3 0.9461
33 NOJ 0.9458
34 EJZ 0.9457
35 9KT 0.9453
36 GAL 0.9451
37 5WX 0.9450
38 AZ8 0.9444
39 APZ 0.9443
40 KBG 0.9443
41 RXA 0.9442
42 9DG 0.9442
43 PXL 0.9440
44 GUN 0.9440
45 XAN 0.9437
46 2ZV 0.9433
47 4HC 0.9429
48 AQO 0.9428
49 8VE 0.9426
50 HTP 0.9421
51 AZA 0.9421
52 KJY 0.9420
53 ASO 0.9418
54 HJP 0.9414
55 MEW 0.9412
56 GIM 0.9411
57 141 0.9408
58 209 0.9400
59 0P6 0.9391
60 JUG 0.9390
61 290 0.9389
62 DX4 0.9389
63 6GU 0.9389
64 VNL 0.9384
65 H33 0.9381
66 TTY 0.9380
67 FA0 0.9373
68 IGA 0.9372
69 DOB 0.9370
70 CFP 0.9361
71 LI6 0.9358
72 BTY 0.9355
73 A2F 0.9354
74 37T 0.9353
75 1XM 0.9352
76 AZG 0.9352
77 HH5 0.9342
78 6AP 0.9340
79 9MG 0.9339
80 BHA 0.9337
81 0CU 0.9336
82 5CU 0.9336
83 8CM 0.9332
84 5NU 0.9331
85 PFB 0.9331
86 UNC 0.9330
87 YSO 0.9330
88 G1O 0.9330
89 FBG 0.9329
90 F1A 0.9328
91 EQT 0.9326
92 4M0 0.9322
93 VOH 0.9318
94 BCP 0.9316
95 TBS 0.9316
96 YH7 0.9315
97 ISE 0.9313
98 KT7 0.9310
99 URC 0.9307
100 HLZ 0.9305
101 MO8 0.9303
102 MT5 0.9301
103 495 0.9298
104 3WA 0.9298
105 GOX 0.9295
106 B62 0.9294
107 K17 0.9290
108 NID 0.9289
109 K32 0.9289
110 IJZ 0.9287
111 XHP 0.9286
112 3DO 0.9285
113 DRL 0.9284
114 CFF 0.9284
115 PQ0 0.9284
116 PRF 0.9283
117 FOT 0.9282
118 G5V 0.9280
119 MT0 0.9280
120 GOG 0.9280
121 PXM 0.9279
122 2ZQ 0.9277
123 2D0 0.9277
124 D07 0.9275
125 INE 0.9274
126 FBT 0.9273
127 18N 0.9270
128 2KA 0.9269
129 BOA 0.9268
130 HZQ 0.9268
131 CWS 0.9266
132 G2F 0.9264
133 BMA 0.9264
134 MMA 0.9259
135 44V 0.9259
136 JBQ 0.9257
137 RPQ 0.9254
138 OA3 0.9253
139 H6B 0.9252
140 HNQ 0.9251
141 HHA 0.9250
142 5WY 0.9248
143 BEA 0.9248
144 MUA 0.9246
145 DHQ 0.9245
146 39A 0.9243
147 44W 0.9242
148 XAZ 0.9242
149 2H5 0.9240
150 OTW 0.9239
151 XXR 0.9238
152 32X 0.9237
153 B55 0.9237
154 CTS 0.9233
155 QX4 0.9232
156 CLZ 0.9229
157 7ZE 0.9222
158 LCN 0.9221
159 2AK 0.9221
160 8TX 0.9221
161 GTZ 0.9220
162 7B3 0.9219
163 1XN 0.9218
164 82I 0.9218
165 DQN 0.9217
166 UAN 0.9209
167 AZ9 0.9208
168 GXY 0.9208
169 INS 0.9207
170 GT0 0.9207
171 KUF 0.9206
172 4XH 0.9206
173 QPR 0.9205
174 DBJ 0.9205
175 NOY 0.9204
176 C2U 0.9204
177 3GQ 0.9203
178 F0J 0.9203
179 BDP 0.9201
180 Q6T 0.9201
181 HH8 0.9200
182 75K 0.9198
183 5Q0 0.9198
184 K3Q 0.9197
185 8XQ 0.9196
186 1SQ 0.9195
187 HQY 0.9191
188 KIF 0.9190
189 5SG 0.9189
190 DQU 0.9189
191 HQD 0.9188
192 GCW 0.9187
193 UFO 0.9185
194 1NP 0.9185
195 IPB 0.9183
196 SYA 0.9183
197 ES1 0.9183
198 7NI 0.9183
199 MVL 0.9182
200 HFB 0.9180
201 0N7 0.9180
202 QAS 0.9180
203 IFL 0.9174
204 6ME 0.9174
205 3Z8 0.9173
206 7B4 0.9173
207 6VD 0.9166
208 LKA 0.9165
209 QAT 0.9164
210 67N 0.9162
211 MBG 0.9162
212 AKH 0.9161
213 GZ8 0.9161
214 MVN 0.9160
215 MAN 0.9160
216 A7W 0.9159
217 E7Z 0.9158
218 0FO 0.9158
219 24W 0.9152
220 226 0.9151
221 4AA 0.9151
222 GCV 0.9147
223 JBK 0.9147
224 V55 0.9147
225 ADK 0.9147
226 3HA 0.9146
227 5JQ 0.9146
228 2MN 0.9145
229 Z5P 0.9144
230 K22 0.9143
231 GCB 0.9142
232 GIO 0.9141
233 ADZ 0.9140
234 AJV 0.9140
235 BTE 0.9139
236 GJS 0.9139
237 4MU 0.9139
238 5WU 0.9138
239 PRZ 0.9136
240 4SV 0.9134
241 M1Q 0.9134
242 M1A 0.9134
243 3DM 0.9133
244 4YS 0.9131
245 2EC 0.9129
246 3IT 0.9129
247 HQT 0.9128
248 EVA 0.9128
249 TTL 0.9127
250 1LQ 0.9126
251 GM7 0.9125
252 PX7 0.9124
253 3F0 0.9121
254 FDR 0.9116
255 ZWZ 0.9116
256 JPZ 0.9115
257 DBH 0.9114
258 PHH 0.9112
259 5IQ 0.9110
260 06B 0.9110
261 ALL 0.9108
262 X05 0.9108
263 8IG 0.9108
264 GLA 0.9107
265 FLV 0.9106
266 GCU 0.9105
267 HMH 0.9105
268 M1H 0.9104
269 FE DB1 0.9103
270 SAL 0.9101
271 12Q 0.9100
272 JKE 0.9100
273 IV2 0.9099
274 948 0.9099
275 5QX 0.9098
276 PCI 0.9098
277 3M0 0.9097
278 BE2 0.9097
279 X8D 0.9097
280 KJH 0.9097
281 7WV 0.9094
282 4HM 0.9093
283 1WD 0.9093
284 FYU 0.9090
285 EA1 0.9089
286 AMG 0.9089
287 N5J 0.9089
288 TOF 0.9087
289 NTM 0.9087
290 1X7 0.9086
291 MRW 0.9085
292 7VS 0.9084
293 CN0 0.9084
294 42C 0.9083
295 YQA 0.9083
296 DIU 0.9082
297 DIN 0.9081
298 ES0 0.9080
299 G6D 0.9080
300 3MA 0.9079
301 CWM 0.9079
302 5JL 0.9078
303 M0Q 0.9078
304 O72 0.9076
305 JTH 0.9074
306 23A 0.9072
307 X09 0.9070
308 K8X 0.9066
309 4M4 0.9064
310 XYP 0.9063
311 GLT 0.9062
312 MS9 0.9061
313 J9W 0.9061
314 Q88 0.9061
315 Q7A 0.9060
316 IFM 0.9058
317 0W8 0.9057
318 4AN 0.9057
319 5RO 0.9057
320 4Z4 0.9056
321 BBF 0.9054
322 N8Y 0.9054
323 7W1 0.9054
324 M0W 0.9052
325 3RK 0.9051
326 SRO 0.9050
327 JBH 0.9049
328 F3B 0.9048
329 ADE 0.9046
330 PHT 0.9044
331 4ME 0.9042
332 KLW 0.9038
333 ES6 0.9037
334 IBF 0.9036
335 1LM 0.9030
336 329 0.9027
337 3U4 0.9026
338 25W 0.9026
339 R8V 0.9026
340 TWO 0.9025
341 IBM 0.9024
342 SXS 0.9019
343 6BL 0.9019
344 HKD 0.9018
345 T6C 0.9017
346 7ME 0.9015
347 2FQ 0.9015
348 JBE 0.9015
349 DNA 0.9015
350 M6N 0.9014
351 BCF 0.9010
352 DIE 0.9010
353 KYD 0.9009
354 MXX 0.9009
355 WOO 0.9007
356 3RI 0.9007
357 LXC 0.9006
358 UQ 0.9005
359 ODO 0.9003
360 XQ0 0.9001
361 2FY 0.9001
362 ZZT 0.9001
363 ISN 0.9000
364 FUL 0.8997
365 H5B 0.8997
366 PH2 0.8997
367 FH2 0.8994
368 4KL 0.8993
369 SKA 0.8993
370 7HQ 0.8993
371 KKN 0.8992
372 FHN 0.8987
373 ZZZ 0.8987
374 7WA 0.8986
375 BSP 0.8983
376 SWA 0.8982
377 10L 0.8980
378 HMU 0.8980
379 AHR 0.8980
380 5NE 0.8978
381 5RN 0.8977
382 K6X 0.8977
383 FDK 0.8977
384 JU2 0.8977
385 7W4 0.8974
386 1GN 0.8970
387 JFD 0.8970
388 GIV 0.8970
389 SOE 0.8967
390 QBK 0.8967
391 JIF 0.8966
392 7WR 0.8964
393 03V 0.8962
394 FUC 0.8961
395 2A9 0.8960
396 HHR 0.8960
397 GTL 0.8957
398 M1E 0.8954
399 I3A 0.8954
400 ES4 0.8953
401 OXZ 0.8953
402 86J 0.8952
403 ZB1 0.8951
404 KGK 0.8951
405 149 0.8948
406 EXO 0.8947
407 PM6 0.8945
408 6MP 0.8945
409 8H8 0.8945
410 TH7 0.8945
411 SOR 0.8944
412 MFB 0.8943
413 BNT 0.8943
414 H62 0.8942
415 MT8 0.8940
416 AIN 0.8940
417 SVN 0.8939
418 35C 0.8938
419 L7T 0.8938
420 M3S 0.8938
421 COU 0.8937
422 BP1 0.8936
423 3Z7 0.8935
424 DFB 0.8934
425 HPA 0.8932
426 5M0 0.8931
427 I6G 0.8930
428 J01 0.8928
429 SJ5 0.8928
430 YIO 0.8928
431 ICO 0.8927
432 RM4 0.8927
433 FUF 0.8922
434 X6X 0.8921
435 GAF 0.8921
436 MNM 0.8919
437 LSA 0.8919
438 JKZ 0.8917
439 9DA 0.8916
440 Q77 0.8916
441 TFU 0.8915
442 LZM 0.8914
443 BZX 0.8911
444 OCH 0.8911
445 PA1 0.8911
446 3FH 0.8910
447 SWD 0.8909
448 9HX 0.8909
449 HA7 0.8908
450 II6 0.8906
451 5WV 0.8905
452 24B 0.8904
453 FCB 0.8900
454 DMJ 0.8899
455 4TU 0.8894
456 0FN 0.8893
457 MZB 0.8893
458 7HP 0.8892
459 RNS 0.8892
460 CTL 0.8892
461 42A 0.8889
462 F5B 0.8888
463 MFU 0.8888
464 FSW 0.8887
465 9PY 0.8885
466 4FS 0.8885
467 F81 0.8884
468 D3M 0.8883
469 4JT 0.8882
470 2FG 0.8882
471 PQK 0.8880
472 2AQ 0.8879
473 NSP 0.8876
474 JXN 0.8876
475 BK9 0.8874
476 5NS 0.8874
477 R9Y 0.8873
478 ES7 0.8873
479 JB5 0.8871
480 7MH 0.8871
481 RM1 0.8870
482 DHK 0.8870
483 2GS 0.8869
484 60Q 0.8868
485 XYS 0.8865
486 ES5 0.8864
487 SHA 0.8863
488 M2K 0.8862
489 8HC 0.8857
490 A65 0.8857
491 8W9 0.8856
492 GTR 0.8853
493 H42 0.8852
494 3SK 0.8851
495 8MO 0.8851
496 IPZ 0.8847
497 92K 0.8846
498 F12 0.8845
499 ZYR 0.8844
500 3C2 0.8843
501 6CS 0.8843
502 6AI 0.8840
503 GXL 0.8839
504 5RG 0.8839
505 GSY 0.8839
506 7D2 0.8836
507 2HQ 0.8835
508 KFH 0.8833
509 5OB 0.8833
510 RHU 0.8832
511 HXX 0.8832
512 EOL 0.8829
513 VNJ 0.8829
514 S3B 0.8828
515 8WT 0.8828
516 KP6 0.8827
517 12M 0.8826
518 4XV 0.8825
519 K37 0.8824
520 1P7 0.8824
521 GTQ 0.8820
522 Q71 0.8818
523 FB1 0.8817
524 SYV 0.8816
525 GDE 0.8816
526 GYE 0.8815
527 BZ3 0.8807
528 JXW 0.8804
529 FP1 0.8801
530 XQG 0.8800
531 3C1 0.8797
532 5MK 0.8796
533 ZZ8 0.8795
534 293 0.8794
535 ADA 0.8793
536 LDR 0.8792
537 1WG 0.8792
538 NDH 0.8792
539 F05 0.8792
540 G12 0.8791
541 J9Q 0.8790
542 RAM 0.8787
543 NPO 0.8787
544 I1N 0.8787
545 B5D 0.8787
546 4RU 0.8786
547 OXC 0.8786
548 5XC 0.8785
549 3PF 0.8783
550 9EW 0.8783
551 1KP 0.8782
552 54G 0.8780
553 5CL 0.8780
554 PEY 0.8779
555 DNC 0.8778
556 14O 0.8778
557 F60 0.8777
558 LZ2 0.8776
559 AZF 0.8774
560 DEE 0.8774
561 ORO 0.8773
562 2K4 0.8773
563 MAG 0.8773
564 9TZ 0.8770
565 JAE 0.8769
566 DOR 0.8768
567 GJP 0.8767
568 5H1 0.8766
569 4NC 0.8764
570 S76 0.8763
571 B56 0.8762
572 5MB 0.8761
573 PHB 0.8761
574 4JQ 0.8760
575 ET2 0.8760
576 MR1 0.8760
577 NNO 0.8759
578 DMD 0.8759
579 FBB 0.8758
580 BPU 0.8757
581 MYJ 0.8756
582 AA 0.8755
583 0FK 0.8755
584 261 0.8755
585 G3E 0.8754
586 9AP 0.8754
587 3TJ 0.8754
588 HLD 0.8754
589 BDF 0.8754
590 5MI 0.8753
591 G1P 0.8753
592 XX2 0.8750
593 8WO 0.8749
594 4XS 0.8749
595 L46 0.8748
596 2LY 0.8748
597 TBP 0.8747
598 KJ5 0.8745
599 97T 0.8745
600 NPY 0.8744
601 1HN 0.8744
602 5B1 0.8742
603 5QY 0.8742
604 SE2 0.8742
605 3ID 0.8741
606 NGO 0.8739
607 PYG 0.8738
608 2CL 0.8738
609 TNF 0.8738
610 FBV 0.8738
611 HHT 0.8738
612 64C 0.8737
613 D48 0.8736
614 AX7 0.8736
615 PAB 0.8736
616 MQN 0.8736
617 P3K 0.8735
618 HBD 0.8735
619 EMZ 0.8730
620 DNF 0.8730
621 8ZE 0.8730
622 NK 0.8729
623 C2Y 0.8729
624 260 0.8727
625 ASC 0.8725
626 FCA 0.8725
627 P9P 0.8724
628 92P 0.8724
629 286 0.8724
630 11S 0.8720
631 F9Y 0.8719
632 ES9 0.8718
633 QUZ 0.8717
634 O2A 0.8717
635 6RQ 0.8717
636 AC6 0.8717
637 PYD 0.8716
638 INO 0.8712
639 270 0.8712
640 DHB 0.8711
641 FHB 0.8709
642 NAG 0.8709
643 GOO 0.8709
644 93K 0.8707
645 JZ3 0.8705
646 2HO 0.8705
647 2CQ 0.8703
648 1F1 0.8701
649 6M9 0.8701
650 MM2 0.8701
651 1MC 0.8700
652 1Y6 0.8700
653 4A3 0.8699
654 K2T 0.8699
655 GZL 0.8699
656 N2I 0.8699
657 ARB 0.8698
658 LT2 0.8698
659 THA 0.8697
660 2CK 0.8697
661 CLW 0.8697
662 150 0.8697
663 ABV 0.8696
664 27B 0.8696
665 1U6 0.8696
666 TIY 0.8693
667 FRU 0.8691
668 TGX 0.8688
669 0RW 0.8687
670 VGD 0.8687
671 HLR 0.8687
672 4MA 0.8687
673 826 0.8685
674 3HM 0.8685
675 45C 0.8685
676 P72 0.8683
677 SW7 0.8682
678 URF 0.8681
679 6M4 0.8681
680 QX2 0.8680
681 PBZ 0.8680
682 36R 0.8680
683 XQK 0.8679
684 H4N 0.8678
685 R8A 0.8678
686 SFU 0.8678
687 DGJ 0.8677
688 3NY 0.8677
689 G4D 0.8676
690 PDC 0.8675
691 E1K 0.8675
692 FK1 0.8672
693 SKM 0.8672
694 52C 0.8671
695 ICP 0.8671
696 Z82 0.8669
697 ANF 0.8669
698 537 0.8669
699 0TU 0.8669
700 28N 0.8668
701 0JD 0.8668
702 F4Z 0.8667
703 23J 0.8666
704 2D3 0.8662
705 4YO 0.8662
706 TDR 0.8662
707 HX3 0.8659
708 3XX 0.8658
709 QSB 0.8658
710 60P 0.8658
711 CHB 0.8656
712 XYD 0.8656
713 P92 0.8656
714 PBR 0.8656
715 9FL 0.8655
716 KJU 0.8654
717 6NT 0.8654
718 2ZM 0.8653
719 9TW 0.8653
720 A1U 0.8652
721 QOS 0.8652
722 6NI 0.8649
723 0HN 0.8649
724 ES2 0.8648
725 174 0.8648
726 3FA 0.8647
727 APS 0.8646
728 GMN 0.8645
729 2MI 0.8645
730 GV9 0.8645
731 QWW 0.8644
732 5VM 0.8643
733 D1X 0.8642
734 XBZ 0.8640
735 9R5 0.8638
736 M5N 0.8638
737 1P8 0.8637
738 MM1 0.8637
739 EKZ 0.8636
740 0HO 0.8635
741 2HU 0.8634
742 ZZ3 0.8634
743 TC7 0.8634
744 EV0 0.8632
745 8NY 0.8632
746 ESI 0.8632
747 J5I 0.8631
748 MBD 0.8630
749 43M 0.8630
750 5NI 0.8630
751 KDV 0.8628
752 BPN 0.8628
753 2AL 0.8628
754 ROI 0.8626
755 2AC 0.8626
756 MWM 0.8625
757 0MK 0.8623
758 275 0.8622
759 2MP 0.8621
760 8GK 0.8620
761 MHK 0.8620
762 4VS 0.8620
763 K5W 0.8620
764 4ZE 0.8619
765 MCT 0.8618
766 E5X 0.8618
767 ABI 0.8616
768 5GU 0.8616
769 34A 0.8615
770 WBU 0.8613
771 4JO 0.8613
772 39U 0.8612
773 3CE 0.8610
774 MWP 0.8610
775 ANN 0.8609
776 2C9 0.8609
777 1DW 0.8607
778 IHB 0.8607
779 4JJ 0.8607
780 PNZ 0.8606
781 15N 0.8605
782 RIP 0.8601
783 4CL 0.8601
784 0R0 0.8597
785 TH0 0.8596
786 JND 0.8595
787 67X 0.8594
788 3A9 0.8593
789 H7Y 0.8593
790 KYA 0.8592
791 4P5 0.8589
792 3MH 0.8588
793 FGZ 0.8588
794 QSH 0.8584
795 5MH 0.8583
796 JZ2 0.8582
797 39O 0.8580
798 XIY 0.8580
799 FFP 0.8579
800 3MC 0.8576
801 FLM 0.8575
802 TSS 0.8574
803 NEQ 0.8571
804 EYK 0.8571
805 SX1 0.8570
806 4HO 0.8570
807 2CM 0.8566
808 CKA 0.8563
809 2MY 0.8561
810 RIB 0.8560
811 TM7 0.8556
812 X0W 0.8556
813 5UC 0.8555
814 HHS 0.8551
815 FA6 0.8550
816 JG8 0.8546
817 F6P 0.8538
818 CIT 0.8537
819 QWN 0.8534
820 5JC 0.8530
821 HBA 0.8526
822 MWJ 0.8522
823 M4E 0.8506
824 F69 0.8506
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3H22; Ligand: B53; 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: 3h22.bio2) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3H22; Ligand: B53; 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: 3h22.bio2) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3H22; Ligand: B53; 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: 3h22.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3H22; Ligand: B53; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3h22.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
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