Receptor
PDB id Resolution Class Description Source Keywords
4NHV 1.99 Å EC: 2.5.1.15 CRYSTAL STRUCTURE OF B. ANTHRACIS DHPS WITH INTERFACIAL COMP (TRIFLUOROMETHYL)-1,2-BENZOXAZOL-3-AMINE BACILLUS ANTHRACIS TIM BARREL TIM BAREL TRANSFERASE PTERIN PABA TRANSFERASTRANSFERASE INHIBITOR COMPLEX
Ref.: IDENTIFICATION AND CHARACTERIZATION OF AN ALLOSTERI INHIBITORY SITE ON DIHYDROPTEROATE SYNTHASE. ACS CHEM.BIOL. V. 9 1294 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 A:305;
A:304;
A:303;
B:304;
A:302;
B:301;
B:303;
B:307;
A:301;
B:308;
A:307;
B:302;
B:305;
A:306;
B:306;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
96.063 O4 S [O-]S...
2O6 A:308;
B:309;
 Valid;
Valid;
 none;
none;
 submit data
202.133 C8 H5 F3 N2 O c1cc2...
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: 2O6; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 2O6 1 1
2 HLR 0.404255 0.864865
Similar Ligands (3D)
Ligand no: 1; Ligand: 2O6; Similar ligands found: 1001
No: Ligand Similarity coefficient
1 MAJ 0.9799
2 HA5 0.9732
3 SKF 0.9639
4 EXD 0.9630
5 9FE 0.9621
6 5GT 0.9593
7 6NT 0.9587
8 0JD 0.9576
9 0HN 0.9569
10 5NI 0.9567
11 JAW 0.9564
12 15N 0.9560
13 3NY 0.9558
14 IAC 0.9553
15 2ZM 0.9540
16 IOS 0.9535
17 S0E 0.9535
18 1F1 0.9532
19 6NI 0.9525
20 2HU 0.9514
21 E1T 0.9513
22 SG2 0.9511
23 DNF 0.9493
24 3A9 0.9489
25 0HO 0.9489
26 X0V 0.9484
27 0FK 0.9469
28 P9E 0.9464
29 SLS 0.9457
30 9ZE 0.9454
31 4FH 0.9441
32 8HC 0.9432
33 N2M 0.9432
34 ABI 0.9428
35 JDN 0.9424
36 PD2 0.9414
37 0F9 0.9412
38 TSR 0.9411
39 JB8 0.9396
40 EUE 0.9392
41 KTW 0.9392
42 ESI 0.9386
43 6TZ 0.9386
44 36E 0.9376
45 ZON 0.9374
46 SRO 0.9369
47 QMS 0.9369
48 EVF 0.9366
49 4SX 0.9357
50 M5H 0.9349
51 AZM 0.9344
52 IL5 0.9334
53 VNL 0.9318
54 0W1 0.9310
55 8ZE 0.9301
56 27B 0.9301
57 ONR 0.9298
58 61M 0.9297
59 S7A 0.9296
60 N1E 0.9296
61 6FZ 0.9294
62 6KT 0.9290
63 1L5 0.9288
64 GO2 0.9288
65 30G 0.9282
66 BZ2 0.9282
67 BK9 0.9277
68 9FL 0.9274
69 ESX 0.9271
70 V1T 0.9270
71 N8Y 0.9269
72 EYV 0.9269
73 PDC 0.9269
74 PEY 0.9268
75 2HC 0.9257
76 BQ2 0.9256
77 1IT 0.9256
78 BCU 0.9255
79 92P 0.9255
80 CH9 0.9255
81 ATX 0.9253
82 N2I 0.9251
83 GJP 0.9248
84 8G0 0.9248
85 ZYR 0.9246
86 1HN 0.9245
87 9CA 0.9244
88 JF2 0.9243
89 EKZ 0.9239
90 TZM 0.9239
91 4RU 0.9238
92 M5E 0.9236
93 DER 0.9234
94 ICB 0.9234
95 JF1 0.9231
96 VXX 0.9231
97 8XL 0.9231
98 K97 0.9225
99 5OB 0.9225
100 GZ2 0.9221
101 ICO 0.9220
102 OW7 0.9219
103 CSN 0.9217
104 6DP 0.9216
105 4KL 0.9214
106 AY4 0.9212
107 363 0.9208
108 HQJ 0.9205
109 MR1 0.9202
110 2K8 0.9198
111 6QF 0.9198
112 MB1 0.9196
113 5NS 0.9195
114 C2Y 0.9194
115 F31 0.9191
116 5XC 0.9189
117 PJW 0.9186
118 LNR 0.9186
119 UFV 0.9183
120 JP2 0.9182
121 INO 0.9179
122 LZ2 0.9177
123 NLA 0.9174
124 R20 0.9164
125 SYE 0.9163
126 M4E 0.9163
127 RD4 0.9162
128 5VL 0.9161
129 M78 0.9160
130 52C 0.9160
131 L5V 0.9160
132 428 0.9160
133 ESP 0.9156
134 DHB 0.9155
135 ANC 0.9153
136 OA1 0.9152
137 6VD 0.9150
138 JG8 0.9149
139 CHB 0.9146
140 DEW 0.9145
141 5RO 0.9145
142 P9P 0.9142
143 JLZ 0.9141
144 JND 0.9140
145 IHB 0.9138
146 FF2 0.9135
147 AN3 0.9135
148 3J8 0.9134
149 L22 0.9134
150 IFP 0.9131
151 8U3 0.9129
152 TWO 0.9128
153 BZ3 0.9127
154 NPA 0.9126
155 1VK 0.9126
156 9UL 0.9124
157 DHY 0.9123
158 BZE 0.9123
159 KYA 0.9120
160 5RN 0.9119
161 UAN 0.9119
162 6HO 0.9117
163 4I8 0.9117
164 4WL 0.9117
165 ANF 0.9116
166 NNO 0.9116
167 DRG 0.9112
168 8W9 0.9111
169 Q02 0.9106
170 A29 0.9101
171 M3Q 0.9101
172 AX3 0.9101
173 XDK 0.9098
174 MSR 0.9098
175 FHB 0.9097
176 ARP 0.9094
177 AA 0.9094
178 APS 0.9092
179 LEL 0.9092
180 9R5 0.9092
181 2HO 0.9091
182 2LY 0.9087
183 5WU 0.9086
184 DNC 0.9083
185 NVU 0.9082
186 E7Z 0.9082
187 TSS 0.9081
188 HHS 0.9080
189 BZJ 0.9080
190 MNP 0.9080
191 CKA 0.9079
192 N3W 0.9077
193 5NE 0.9074
194 93K 0.9072
195 EA1 0.9071
196 M6Z 0.9070
197 4A3 0.9070
198 R2P 0.9068
199 2SX 0.9067
200 8WT 0.9067
201 LR5 0.9063
202 BB4 0.9060
203 94W 0.9059
204 BPY 0.9058
205 F4E 0.9058
206 9BF 0.9057
207 4NC 0.9057
208 L99 0.9056
209 1A7 0.9055
210 PIM 0.9055
211 GNM 0.9053
212 M2K 0.9053
213 HIS 0.9052
214 X48 0.9051
215 2BG 0.9050
216 657 0.9050
217 YTX 0.9050
218 MYJ 0.9050
219 F9Y 0.9049
220 GO8 0.9048
221 Z5P 0.9048
222 EWG 0.9047
223 YZM 0.9047
224 344 0.9046
225 R9Y 0.9045
226 KYN 0.9045
227 MQB 0.9044
228 7MX 0.9044
229 8NX 0.9042
230 9TW 0.9042
231 I59 0.9040
232 KDV 0.9040
233 R1P 0.9039
234 3AE 0.9039
235 TCA 0.9039
236 7I2 0.9036
237 6R8 0.9035
238 LL1 0.9035
239 4LW 0.9034
240 7MW 0.9032
241 THA 0.9031
242 4P5 0.9031
243 XXG 0.9027
244 N91 0.9027
245 4BL 0.9027
246 UNJ 0.9027
247 3VX 0.9026
248 JZA 0.9026
249 BEA 0.9023
250 3HM 0.9023
251 ZEC 0.9020
252 535 0.9019
253 SNO 0.9018
254 GVG 0.9018
255 BNX 0.9016
256 I7B 0.9016
257 I3A 0.9016
258 68A 0.9015
259 PPY 0.9015
260 5XB 0.9014
261 3PF 0.9014
262 3R6 0.9013
263 5QY 0.9012
264 28N 0.9011
265 OVM 0.9011
266 H4E 0.9011
267 4ZA 0.9011
268 091 0.9010
269 SNU 0.9010
270 3PG 0.9009
271 JTH 0.9005
272 NBG 0.9004
273 ZME 0.9004
274 OMD 0.9001
275 BIK 0.9001
276 4ME 0.8999
277 BP7 0.8999
278 X0U 0.8998
279 TSU 0.8998
280 M6H 0.8997
281 TRP 0.8996
282 IOP 0.8996
283 KUF 0.8996
284 TT4 0.8996
285 KTA 0.8995
286 8GK 0.8995
287 GF4 0.8993
288 BDP 0.8993
289 DA4 0.8992
290 STT 0.8992
291 4V2 0.8990
292 EV2 0.8990
293 7AP 0.8989
294 CXH 0.8989
295 4TU 0.8987
296 SAF 0.8987
297 E5X 0.8987
298 OW4 0.8985
299 0LH 0.8984
300 I4D 0.8984
301 AJY 0.8984
302 1BN 0.8983
303 2JK 0.8982
304 DEZ 0.8981
305 M4S 0.8981
306 1QP 0.8980
307 RNO 0.8979
308 X11 0.8979
309 5LD 0.8979
310 PRO GLY 0.8979
311 G1P 0.8979
312 4BY 0.8978
313 2F6 0.8977
314 CWJ 0.8976
315 DX3 0.8976
316 PQK 0.8975
317 EN1 0.8974
318 GDE 0.8974
319 9AP 0.8972
320 4XF 0.8972
321 A5P 0.8972
322 7WR 0.8972
323 HSX 0.8971
324 H4B 0.8971
325 12T 0.8970
326 463 0.8970
327 VM1 0.8970
328 YOF 0.8969
329 DHC 0.8968
330 7O4 0.8968
331 ABF 0.8967
332 HHI 0.8967
333 HCI 0.8967
334 SKM 0.8966
335 0N7 0.8966
336 PIY 0.8966
337 DAH 0.8965
338 NAG 0.8965
339 DHK 0.8965
340 S7J 0.8964
341 4AB 0.8964
342 CWS 0.8964
343 HKD 0.8964
344 PO6 0.8963
345 J9Q 0.8963
346 H5B 0.8962
347 M45 0.8961
348 AKG 0.8961
349 8NB 0.8960
350 8WO 0.8959
351 3MB 0.8959
352 FDR 0.8958
353 3VW 0.8958
354 I2E 0.8958
355 MZM 0.8958
356 4NB 0.8958
357 TTY 0.8958
358 LDR 0.8957
359 PH2 0.8956
360 HHR 0.8956
361 YO5 0.8955
362 N7I 0.8955
363 7ZC 0.8954
364 5F5 0.8953
365 V55 0.8953
366 4NZ 0.8952
367 AMR 0.8952
368 RAT 0.8951
369 0BP 0.8950
370 54X 0.8949
371 KMY 0.8949
372 FBF 0.8948
373 IPD 0.8948
374 QMR 0.8945
375 P7Y 0.8944
376 173 0.8944
377 A7H 0.8943
378 BZQ 0.8943
379 XX2 0.8943
380 92K 0.8942
381 6BL 0.8942
382 BNL 0.8941
383 5DL 0.8939
384 97T 0.8938
385 KTJ 0.8938
386 CPZ 0.8937
387 AEH 0.8936
388 AOT 0.8936
389 HBO 0.8936
390 2UZ 0.8936
391 DK1 0.8933
392 B4O 0.8933
393 ALE 0.8932
394 I7A 0.8932
395 HQD 0.8931
396 D48 0.8931
397 OGA 0.8931
398 SHI 0.8930
399 XFE 0.8930
400 SEP 0.8926
401 PMP 0.8925
402 B56 0.8925
403 HBI 0.8924
404 DXP 0.8924
405 5TY 0.8924
406 TXW 0.8923
407 F2W 0.8922
408 LT2 0.8922
409 6J9 0.8921
410 BHQ 0.8920
411 GRX 0.8920
412 PRZ 0.8920
413 GCO 0.8919
414 4XV 0.8918
415 UFO 0.8917
416 ZIQ 0.8916
417 XDE 0.8916
418 FK8 0.8915
419 KF5 0.8915
420 56D 0.8915
421 XX3 0.8913
422 RP3 0.8913
423 67X 0.8913
424 EUG 0.8913
425 3ZB 0.8913
426 DTR 0.8910
427 H2B 0.8909
428 B85 0.8909
429 TMG 0.8907
430 TYL 0.8905
431 L14 0.8903
432 XIY 0.8903
433 MPK 0.8903
434 FIX 0.8902
435 NID 0.8902
436 MHK 0.8902
437 J6W 0.8900
438 E7S 0.8900
439 CC5 0.8899
440 ROI 0.8899
441 MYI 0.8898
442 EYK 0.8898
443 EOL 0.8897
444 LLT 0.8896
445 GDL 0.8896
446 4Z4 0.8895
447 G3E 0.8894
448 5LA 0.8892
449 HG3 0.8891
450 C9E 0.8890
451 OVP 0.8890
452 GHM 0.8889
453 4XS 0.8889
454 MXD 0.8889
455 NDG 0.8889
456 X8D 0.8888
457 M1Z 0.8888
458 KJU 0.8888
459 AZ9 0.8887
460 4JQ 0.8887
461 BIO 0.8886
462 RKV 0.8885
463 GWM 0.8884
464 23J 0.8884
465 1AL 0.8883
466 DDU 0.8883
467 RUY 0.8882
468 FHC 0.8881
469 CR1 0.8880
470 LAO 0.8880
471 COU 0.8879
472 BGC 0.8879
473 2AQ 0.8879
474 2FQ 0.8878
475 OCH 0.8878
476 S2G 0.8878
477 OA3 0.8877
478 HX4 0.8877
479 5RP 0.8877
480 7VP 0.8876
481 15E 0.8876
482 F69 0.8875
483 505 0.8875
484 4NP 0.8873
485 RM1 0.8873
486 49O 0.8873
487 2HQ 0.8870
488 DNA 0.8870
489 PLP 0.8870
490 46P 0.8869
491 1P7 0.8869
492 DPT 0.8869
493 NCT 0.8868
494 LDP 0.8868
495 H7Y 0.8867
496 REL 0.8866
497 4NS 0.8865
498 2KA 0.8864
499 LQ2 0.8864
500 0XT 0.8863
501 2GQ 0.8862
502 JRB 0.8859
503 2FY 0.8859
504 H42 0.8858
505 AMS 0.8858
506 4BZ 0.8858
507 ES5 0.8857
508 MPV 0.8857
509 JB5 0.8856
510 DHI 0.8855
511 HLD 0.8853
512 FUD 0.8853
513 3W8 0.8852
514 1Z6 0.8851
515 MIL 0.8851
516 5WY 0.8851
517 AMQ 0.8850
518 2HG 0.8850
519 E35 0.8849
520 0GZ 0.8848
521 03V 0.8848
522 S60 0.8847
523 BGU 0.8847
524 2CZ 0.8846
525 EGR 0.8846
526 KT7 0.8846
527 ODO 0.8846
528 1WC 0.8846
529 TQU 0.8845
530 THM 0.8845
531 57O 0.8845
532 4FS 0.8844
533 HNK 0.8844
534 DBX 0.8844
535 4MB 0.8844
536 FQX 0.8844
537 NDH 0.8842
538 2V0 0.8842
539 PFL 0.8842
540 4AA 0.8841
541 6FB 0.8841
542 39O 0.8840
543 MUA 0.8839
544 ANN 0.8839
545 SAN 0.8839
546 HQT 0.8838
547 IWT 0.8838
548 XCG 0.8838
549 AM4 0.8837
550 HNT 0.8837
551 1M2 0.8837
552 2EC 0.8837
553 4AV 0.8836
554 89J 0.8836
555 MD6 0.8832
556 7ME 0.8830
557 QPR 0.8830
558 QMP 0.8830
559 W81 0.8830
560 SE2 0.8830
561 G6P 0.8829
562 QQQ 0.8828
563 R9G 0.8828
564 5B1 0.8827
565 TU0 0.8827
566 J5I 0.8827
567 7CT 0.8827
568 XIZ 0.8827
569 HNL 0.8825
570 OTD 0.8825
571 JXZ 0.8823
572 PNZ 0.8823
573 LSQ 0.8820
574 YIE 0.8819
575 AC2 0.8819
576 E4P 0.8819
577 51R 0.8818
578 MMS 0.8817
579 4CM 0.8817
580 7VS 0.8817
581 ZZZ 0.8816
582 O2A 0.8816
583 4VS 0.8815
584 U7E 0.8815
585 CN0 0.8814
586 78P 0.8814
587 ZYQ 0.8813
588 ITE 0.8813
589 86J 0.8813
590 DPN 0.8812
591 0OL 0.8811
592 3C4 0.8811
593 6HP 0.8811
594 M3E 0.8811
595 LIP 0.8811
596 M6P 0.8809
597 JYB 0.8809
598 6RQ 0.8807
599 SQ4 0.8806
600 FGZ 0.8806
601 36Y 0.8805
602 3Y7 0.8803
603 8OZ 0.8803
604 X6P 0.8801
605 SYV 0.8800
606 LZM 0.8800
607 BPU 0.8799
608 FLC 0.8799
609 TTL 0.8798
610 0P6 0.8796
611 SVD 0.8796
612 GTR 0.8796
613 EVA 0.8796
614 4R1 0.8795
615 N0Z 0.8795
616 ZSP 0.8795
617 AJV 0.8793
618 0FR 0.8792
619 GCU 0.8792
620 Z13 0.8791
621 7ZE 0.8790
622 XEN 0.8790
623 12Q 0.8790
624 HC4 0.8789
625 CIT 0.8788
626 5E5 0.8788
627 FA0 0.8788
628 DHS 0.8787
629 M0W 0.8787
630 CFA 0.8786
631 069 0.8786
632 8CM 0.8786
633 BHS 0.8785
634 D3G 0.8785
635 42A 0.8785
636 CTL 0.8784
637 795 0.8782
638 4JT 0.8782
639 6ZW 0.8782
640 BPN 0.8781
641 GLC 0.8780
642 GZL 0.8780
643 67Y 0.8778
644 5GU 0.8778
645 1XA 0.8777
646 GLU 0.8777
647 ZXD 0.8776
648 PBA 0.8774
649 CK2 0.8773
650 CTE 0.8772
651 GL1 0.8772
652 3HP 0.8771
653 FWD 0.8771
654 0J4 0.8770
655 HHH 0.8770
656 8MO 0.8770
657 J9T 0.8769
658 TZF 0.8769
659 2FX 0.8769
660 KLK 0.8768
661 GAL 0.8768
662 7ZL 0.8768
663 F0J 0.8767
664 K5W 0.8767
665 SOR 0.8766
666 4J8 0.8766
667 ASC 0.8765
668 PHE 0.8765
669 5F8 0.8765
670 AZ8 0.8764
671 LP8 0.8764
672 MQN 0.8764
673 GCB 0.8764
674 6ME 0.8763
675 DIN 0.8762
676 TIU 0.8762
677 3Z8 0.8761
678 A7W 0.8761
679 FBS 0.8760
680 5OF 0.8760
681 KJH 0.8759
682 DQA 0.8759
683 SHA 0.8759
684 AVI 0.8758
685 FA3 0.8758
686 S0G 0.8755
687 4M4 0.8755
688 N9J 0.8754
689 XI7 0.8752
690 DOB 0.8752
691 PE0 0.8751
692 5CU 0.8751
693 4JC 0.8750
694 3R4 0.8750
695 4HM 0.8750
696 WUB 0.8750
697 TOF 0.8749
698 M3H 0.8749
699 FBW 0.8749
700 KWB 0.8748
701 DQU 0.8748
702 CXP 0.8748
703 3FH 0.8748
704 NIY 0.8746
705 XRS 0.8744
706 LPK 0.8744
707 MEW 0.8744
708 GC2 0.8743
709 M0Q 0.8742
710 PH3 0.8741
711 ZYV 0.8739
712 SQ7 0.8738
713 42C 0.8738
714 TCR 0.8737
715 4A5 0.8736
716 4MU 0.8736
717 44W 0.8735
718 5AD 0.8735
719 CTS 0.8734
720 DEE 0.8734
721 0DN 0.8734
722 GLN 0.8734
723 HQ9 0.8733
724 36M 0.8733
725 C1M 0.8732
726 URC 0.8731
727 2AK 0.8730
728 INE 0.8730
729 RP5 0.8728
730 5QX 0.8728
731 R8Y 0.8728
732 2BX 0.8727
733 5GV 0.8727
734 QIV 0.8727
735 Q6T 0.8727
736 B86 0.8726
737 SN4 0.8726
738 BA5 0.8726
739 BGP 0.8726
740 4LV 0.8726
741 7W1 0.8724
742 9PY 0.8724
743 4HC 0.8724
744 4TP 0.8723
745 NCD 0.8723
746 MCY 0.8722
747 AMH 0.8722
748 ADA 0.8722
749 PPT 0.8722
750 2ZQ 0.8722
751 SKA 0.8722
752 DC5 0.8722
753 NIZ 0.8722
754 0FO 0.8721
755 2AL 0.8720
756 3AL 0.8720
757 A5E 0.8720
758 BVA 0.8720
759 A9P 0.8720
760 RVE 0.8719
761 FA1 0.8719
762 JCZ 0.8719
763 MS9 0.8718
764 A5H 0.8717
765 977 0.8717
766 CCV 0.8717
767 B2Y 0.8716
768 5B2 0.8715
769 H7S 0.8714
770 61O 0.8713
771 4YO 0.8713
772 XHP 0.8712
773 I3E 0.8712
774 B62 0.8712
775 AVA 0.8711
776 MSL 0.8710
777 X0W 0.8706
778 5BT 0.8706
779 209 0.8706
780 64C 0.8705
781 537 0.8704
782 QIC 0.8704
783 GAB 0.8703
784 22L 0.8702
785 JTA 0.8702
786 KW8 0.8702
787 152 0.8701
788 5V7 0.8700
789 4M0 0.8699
790 FER 0.8699
791 HDH 0.8698
792 ET2 0.8698
793 MRW 0.8698
794 J9N 0.8697
795 3QV 0.8697
796 CLZ 0.8697
797 3YP 0.8695
798 OTW 0.8695
799 FTV 0.8695
800 M6N 0.8693
801 JR2 0.8692
802 TYR 0.8691
803 C82 0.8691
804 A9O 0.8691
805 TGX 0.8690
806 HFA 0.8689
807 92G 0.8689
808 IQ5 0.8689
809 CFI 0.8689
810 8WZ 0.8687
811 44V 0.8686
812 CIY 0.8686
813 F12 0.8686
814 BNF 0.8685
815 Q88 0.8685
816 ISZ 0.8685
817 FCR 0.8681
818 0TU 0.8681
819 7MU 0.8680
820 78Y 0.8680
821 AAN 0.8680
822 KBZ 0.8680
823 5NU 0.8679
824 R9S 0.8679
825 P84 0.8678
826 BHA 0.8678
827 5FL 0.8678
828 G14 0.8678
829 717 0.8677
830 3OC 0.8676
831 AKH 0.8676
832 X04 0.8675
833 7A2 0.8674
834 GOJ 0.8673
835 ID2 0.8673
836 HA7 0.8671
837 ES2 0.8670
838 HNQ 0.8670
839 M5K 0.8669
840 GTQ 0.8668
841 0NX 0.8667
842 8XQ 0.8666
843 Y3L 0.8666
844 FBB 0.8665
845 KOJ 0.8664
846 IV2 0.8664
847 BHO 0.8664
848 N4E 0.8663
849 S3P 0.8663
850 OQC 0.8662
851 774 0.8662
852 5WN 0.8662
853 3AB 0.8662
854 Q24 0.8661
855 AQO 0.8661
856 BY5 0.8661
857 0FN 0.8661
858 3HB 0.8661
859 QBK 0.8660
860 M1E 0.8659
861 2JJ 0.8657
862 9H2 0.8657
863 7NI 0.8656
864 GNV 0.8655
865 AJ2 0.8654
866 WSD 0.8653
867 PAC 0.8653
868 ET0 0.8652
869 ST3 0.8651
870 M1H 0.8651
871 FE DB1 0.8650
872 L13 0.8650
873 TIY 0.8650
874 C0H 0.8649
875 6X9 0.8648
876 G12 0.8646
877 ENO 0.8645
878 CWD 0.8645
879 42J 0.8645
880 JF6 0.8644
881 P80 0.8644
882 QX4 0.8643
883 K68 0.8642
884 1U6 0.8642
885 DZA 0.8641
886 AH9 0.8640
887 K3Q 0.8639
888 DBS 0.8639
889 4NM 0.8638
890 PHU 0.8637
891 E7R 0.8637
892 HJ7 0.8635
893 549 0.8635
894 1KP 0.8634
895 MWP 0.8633
896 K2T 0.8631
897 PRF 0.8631
898 MVN 0.8630
899 MS0 0.8630
900 JFJ 0.8630
901 4NO 0.8628
902 WS7 0.8628
903 CWM 0.8628
904 DUR 0.8627
905 GXY 0.8626
906 DXK 0.8626
907 PZI 0.8626
908 G3F 0.8625
909 WV7 0.8625
910 5OO 0.8625
911 XRX 0.8625
912 9MG 0.8624
913 5TZ 0.8621
914 HJB 0.8620
915 HRM 0.8620
916 APZ 0.8619
917 GZ3 0.8616
918 ZZA 0.8614
919 MOK 0.8614
920 MUK 0.8613
921 1P8 0.8613
922 NPL 0.8611
923 2KU 0.8611
924 3VQ 0.8609
925 NF3 0.8608
926 5VJ 0.8607
927 MNS 0.8606
928 AL0 0.8606
929 8G6 0.8606
930 XCZ 0.8603
931 3D1 0.8603
932 259 0.8602
933 RXA 0.8601
934 F4K 0.8601
935 R8V 0.8601
936 3DT 0.8600
937 A13 0.8596
938 CLW 0.8596
939 54G 0.8596
940 7D7 0.8594
941 BWD 0.8593
942 96R 0.8593
943 K25 0.8592
944 8TX 0.8591
945 TPA 0.8591
946 45L 0.8590
947 8S0 0.8589
948 2LW 0.8586
949 7B3 0.8585
950 3ID 0.8585
951 FBU 0.8582
952 FLV 0.8581
953 RMN 0.8580
954 0W8 0.8579
955 OTR 0.8579
956 LT8 0.8579
957 XQG 0.8575
958 F6P 0.8574
959 36R 0.8574
960 9KT 0.8573
961 SYR 0.8573
962 ODK 0.8573
963 BTY 0.8571
964 ES0 0.8571
965 JY4 0.8569
966 DCZ 0.8567
967 ASO 0.8567
968 BNT 0.8567
969 3MG 0.8566
970 IWD 0.8565
971 5JQ 0.8565
972 75K 0.8565
973 M1Q 0.8563
974 PQ0 0.8563
975 J9W 0.8562
976 QBM 0.8562
977 2FG 0.8560
978 VGD 0.8559
979 KMH 0.8558
980 GJK 0.8557
981 6HX 0.8556
982 ES9 0.8555
983 XAZ 0.8555
984 LI6 0.8551
985 NQ 0.8550
986 AHU 0.8550
987 I6G 0.8545
988 VK3 0.8544
989 HSO 0.8544
990 4FF 0.8544
991 XQ0 0.8540
992 IPB 0.8538
993 14O 0.8538
994 F60 0.8532
995 0SY 0.8532
996 II4 0.8528
997 PXL 0.8526
998 H4N 0.8521
999 SV4 0.8514
1000 BZX 0.8506
1001 5WV 0.8503
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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