Receptor
PDB id Resolution Class Description Source Keywords
3H26 2.5 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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
B56 A:901;
B:902;
 Valid;
Valid;
 none;
none;
 ic50 = 32.4 uM
223.189 C8 H9 N5 O3 CN1CC...
SO4 A:278;
A:279;
A:280;
B:278;
B:279;
B:280;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 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: B56; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 B56 1 1
2 B61 0.533333 0.802817
3 B60 0.431034 0.885246
Similar Ligands (3D)
Ligand no: 1; Ligand: B56; Similar ligands found: 546
No: Ligand Similarity coefficient
1 2K8 0.9879
2 4KL 0.9758
3 HHS 0.9727
4 ST2 0.9672
5 PH2 0.9630
6 HHR 0.9581
7 8HC 0.9565
8 0FK 0.9513
9 537 0.9512
10 8MO 0.9497
11 KYA 0.9495
12 FDR 0.9486
13 N0Z 0.9462
14 HBI 0.9414
15 ZYR 0.9413
16 3J8 0.9390
17 5TY 0.9385
18 DNA 0.9359
19 9R5 0.9353
20 THA 0.9348
21 BIO 0.9341
22 V1T 0.9333
23 AA 0.9331
24 N8Y 0.9325
25 E1K 0.9316
26 96U 0.9314
27 ZSP 0.9308
28 ANF 0.9297
29 5V7 0.9295
30 H5B 0.9294
31 68A 0.9288
32 N91 0.9286
33 H4B 0.9284
34 0JD 0.9283
35 CKA 0.9274
36 PRF 0.9270
37 3VX 0.9268
38 Q77 0.9266
39 44W 0.9264
40 DRG 0.9250
41 15N 0.9233
42 XHP 0.9230
43 6ME 0.9230
44 E1T 0.9229
45 ST1 0.9224
46 DQU 0.9215
47 2JK 0.9214
48 QX4 0.9212
49 M5H 0.9202
50 1HN 0.9198
51 HNT 0.9198
52 7MX 0.9192
53 6KT 0.9192
54 LZ2 0.9192
55 DK1 0.9190
56 DNC 0.9190
57 5NE 0.9185
58 4VS 0.9180
59 30G 0.9179
60 9ZE 0.9178
61 AC2 0.9171
62 OTW 0.9168
63 EAE 0.9168
64 H2B 0.9167
65 B62 0.9164
66 CLZ 0.9162
67 GJP 0.9161
68 HA5 0.9160
69 54X 0.9154
70 CHQ 0.9153
71 4AB 0.9148
72 344 0.9146
73 2KA 0.9145
74 5NS 0.9145
75 AMR 0.9144
76 PEY 0.9142
77 OQC 0.9138
78 44V 0.9138
79 UFO 0.9137
80 MVN 0.9136
81 MD6 0.9133
82 BA5 0.9130
83 96R 0.9129
84 TIY 0.9127
85 ESI 0.9125
86 ARP 0.9124
87 0FO 0.9122
88 4RU 0.9119
89 SLS 0.9110
90 4AN 0.9110
91 6VD 0.9108
92 WSD 0.9106
93 5RO 0.9102
94 7AP 0.9101
95 MNS 0.9101
96 2GQ 0.9100
97 APS 0.9095
98 MAQ 0.9094
99 209 0.9092
100 QMS 0.9091
101 3QV 0.9086
102 28N 0.9086
103 LDR 0.9083
104 BZJ 0.9082
105 9AP 0.9080
106 UAN 0.9080
107 6BL 0.9074
108 2AK 0.9071
109 X8D 0.9069
110 27B 0.9069
111 M78 0.9068
112 LZB 0.9060
113 PQ0 0.9054
114 2FQ 0.9051
115 DPZ 0.9048
116 JF1 0.9044
117 0FR 0.9040
118 NAG 0.9040
119 8Y7 0.9039
120 6QF 0.9038
121 IBM 0.9035
122 KTW 0.9035
123 S60 0.9030
124 K68 0.9023
125 NDD 0.9019
126 JF2 0.9018
127 BEA 0.9018
128 9UL 0.9014
129 K97 0.9011
130 ANC 0.9010
131 NID 0.9009
132 9TF 0.9009
133 7I2 0.9003
134 D07 0.9001
135 9FE 0.9001
136 I6G 0.9001
137 KY3 0.8997
138 DNF 0.8995
139 K25 0.8992
140 8W9 0.8989
141 S0E 0.8983
142 JG8 0.8983
143 TQU 0.8981
144 MUA 0.8978
145 BGU 0.8976
146 GHM 0.8974
147 JY4 0.8972
148 INE 0.8970
149 NDG 0.8970
150 KDV 0.8969
151 H33 0.8963
152 PLP 0.8963
153 M4E 0.8962
154 GNM 0.8961
155 8NX 0.8960
156 LFN 0.8959
157 F5C 0.8958
158 4TU 0.8957
159 N2I 0.8957
160 JXW 0.8957
161 ROI 0.8956
162 8ZE 0.8954
163 TTY 0.8952
164 7B3 0.8951
165 DPT 0.8950
166 HBO 0.8948
167 12T 0.8947
168 UNJ 0.8947
169 1F1 0.8946
170 C2Y 0.8944
171 BPY 0.8941
172 MS0 0.8940
173 VXX 0.8938
174 AN3 0.8938
175 0TU 0.8936
176 MQN 0.8936
177 6FB 0.8935
178 GO2 0.8935
179 M3F 0.8935
180 IQZ 0.8935
181 KP2 0.8934
182 DX2 0.8934
183 QIV 0.8934
184 5NN 0.8933
185 XM5 0.8928
186 4JQ 0.8925
187 2O6 0.8925
188 N7I 0.8925
189 UXH 0.8924
190 AJV 0.8924
191 JP2 0.8923
192 JBZ 0.8918
193 JWS 0.8916
194 TSS 0.8916
195 SG2 0.8914
196 92P 0.8912
197 VUP 0.8910
198 FQX 0.8910
199 0XT 0.8906
200 0HN 0.8906
201 EE8 0.8905
202 9KZ 0.8905
203 549 0.8904
204 NLA 0.8902
205 PJW 0.8901
206 SKF 0.8900
207 B5D 0.8899
208 TOF 0.8898
209 MFZ 0.8897
210 X04 0.8897
211 CWS 0.8895
212 8XL 0.8893
213 TWO 0.8893
214 G1P 0.8891
215 KUF 0.8891
216 4YO 0.8891
217 582 0.8890
218 L46 0.8889
219 94W 0.8888
220 2HQ 0.8888
221 R6T 0.8888
222 FLV 0.8885
223 L1O 0.8885
224 1DR 0.8884
225 9FL 0.8883
226 NEU 0.8880
227 0P6 0.8880
228 TCR 0.8880
229 20J 0.8879
230 5WT 0.8878
231 JYT 0.8878
232 21D 0.8877
233 JAW 0.8877
234 JU2 0.8875
235 NGA 0.8875
236 AQO 0.8875
237 6E8 0.8875
238 1QV 0.8875
239 2LY 0.8874
240 Z21 0.8873
241 DX3 0.8872
242 1IT 0.8872
243 JXK 0.8871
244 MEW 0.8871
245 5WY 0.8871
246 QPR 0.8870
247 9CA 0.8870
248 226 0.8868
249 0HO 0.8868
250 BHS 0.8868
251 LI6 0.8866
252 PMP 0.8865
253 TXW 0.8864
254 BPU 0.8864
255 M5K 0.8861
256 G6P 0.8861
257 5GV 0.8860
258 9KT 0.8860
259 GI3 0.8859
260 EUE 0.8857
261 2ZM 0.8857
262 ICO 0.8851
263 Q0K 0.8850
264 5VL 0.8850
265 5VJ 0.8849
266 AJ2 0.8849
267 CK2 0.8848
268 K44 0.8847
269 3ZB 0.8846
270 PE0 0.8845
271 Q71 0.8844
272 VK3 0.8842
273 K82 0.8841
274 BDP 0.8839
275 Z5P 0.8839
276 8CM 0.8838
277 KLK 0.8838
278 4BY 0.8837
279 LOG 0.8836
280 3A9 0.8835
281 86J 0.8835
282 WS7 0.8833
283 KMY 0.8833
284 EMO 0.8827
285 TNF 0.8827
286 AJY 0.8826
287 IOS 0.8826
288 6NI 0.8825
289 CH9 0.8825
290 GO8 0.8823
291 B52 0.8823
292 X0U 0.8823
293 22L 0.8823
294 M2K 0.8822
295 6NT 0.8821
296 774 0.8820
297 NDM 0.8818
298 AY4 0.8818
299 8WT 0.8816
300 BIK 0.8816
301 JB8 0.8815
302 4BL 0.8814
303 3NY 0.8813
304 BNX 0.8812
305 BK9 0.8810
306 3Y7 0.8808
307 2HU 0.8808
308 EV2 0.8807
309 NQ 0.8807
310 CWJ 0.8806
311 RXA 0.8806
312 1KP 0.8804
313 7WR 0.8799
314 XAZ 0.8799
315 3R4 0.8797
316 IAC 0.8796
317 JDN 0.8793
318 363 0.8792
319 4I8 0.8790
320 LIP 0.8790
321 4ME 0.8788
322 61M 0.8788
323 NPL 0.8787
324 0J5 0.8785
325 FDB 0.8785
326 0J4 0.8784
327 WS6 0.8783
328 1X8 0.8781
329 ZYQ 0.8781
330 7ZE 0.8780
331 XFE 0.8780
332 4HC 0.8779
333 3Z8 0.8779
334 HQD 0.8778
335 64C 0.8778
336 AP4 0.8778
337 GXY 0.8777
338 FF2 0.8776
339 Q24 0.8775
340 39Z 0.8773
341 5RN 0.8771
342 SRO 0.8769
343 AZ8 0.8769
344 0GZ 0.8768
345 M0Q 0.8768
346 MPU 0.8767
347 JYB 0.8767
348 KF5 0.8766
349 2HC 0.8766
350 ZVO 0.8765
351 RHN 0.8764
352 NEO 0.8763
353 BHQ 0.8763
354 Q7A 0.8763
355 0F9 0.8763
356 GF4 0.8762
357 680 0.8762
358 QBK 0.8762
359 PDC 0.8762
360 JR2 0.8762
361 7VS 0.8761
362 W81 0.8760
363 0FN 0.8760
364 RH1 0.8759
365 HLD 0.8758
366 G12 0.8758
367 X0T 0.8757
368 K37 0.8757
369 GNV 0.8756
370 64E 0.8756
371 37T 0.8756
372 IV2 0.8753
373 PYQ 0.8751
374 2J1 0.8751
375 M6Z 0.8750
376 C9E 0.8750
377 TT4 0.8750
378 5GT 0.8750
379 MS9 0.8748
380 SYR 0.8746
381 QQQ 0.8745
382 A2G 0.8743
383 ZEC 0.8742
384 N2M 0.8739
385 0N7 0.8738
386 2ZQ 0.8737
387 5NI 0.8737
388 CFA 0.8736
389 ABI 0.8732
390 OTA 0.8732
391 TGX 0.8732
392 TMG 0.8732
393 DRL 0.8732
394 ZZA 0.8731
395 A7H 0.8728
396 HRM 0.8728
397 5OO 0.8727
398 MUR 0.8727
399 AJ1 0.8726
400 II4 0.8726
401 18N 0.8724
402 ESX 0.8721
403 MFR 0.8720
404 1QP 0.8720
405 15E 0.8718
406 2FX 0.8717
407 APZ 0.8716
408 1A7 0.8714
409 8XQ 0.8714
410 CX6 0.8713
411 PRL 0.8712
412 EXD 0.8711
413 OA3 0.8711
414 TNL 0.8708
415 RSV 0.8707
416 X11 0.8705
417 GDL 0.8704
418 19E 0.8704
419 DDU 0.8704
420 COL 0.8703
421 IL5 0.8702
422 BZ2 0.8702
423 P9E 0.8701
424 J6W 0.8699
425 HNQ 0.8697
426 CG 0.8695
427 K22 0.8694
428 9MG 0.8694
429 I4D 0.8692
430 3GX 0.8691
431 PD2 0.8690
432 JY2 0.8690
433 MAG 0.8690
434 REF 0.8690
435 A1Y 0.8689
436 YE7 0.8689
437 TXQ 0.8687
438 1V4 0.8687
439 3GQ 0.8686
440 4MU 0.8686
441 8DA 0.8685
442 MQG 0.8683
443 3VQ 0.8682
444 VNL 0.8681
445 ESP 0.8680
446 5XC 0.8677
447 5OB 0.8677
448 PRZ 0.8676
449 GDE 0.8676
450 8SK 0.8672
451 THM 0.8670
452 4NO 0.8669
453 8WZ 0.8669
454 AP6 0.8668
455 ITE 0.8667
456 SNG 0.8667
457 K32 0.8666
458 372 0.8665
459 BBK 0.8663
460 P0P 0.8661
461 NRA 0.8660
462 DXK 0.8660
463 7O4 0.8658
464 MOK 0.8657
465 PIQ 0.8655
466 BZ3 0.8654
467 5LA 0.8654
468 GI1 0.8653
469 EN1 0.8652
470 Y0V 0.8652
471 X48 0.8651
472 JXT 0.8651
473 49O 0.8649
474 MHK 0.8649
475 F2W 0.8646
476 465 0.8645
477 ONR 0.8644
478 5VU 0.8644
479 LUM 0.8644
480 39O 0.8643
481 2BG 0.8643
482 A29 0.8643
483 MAJ 0.8640
484 AZ9 0.8640
485 6X9 0.8640
486 MXX 0.8639
487 BTY 0.8639
488 B57 0.8638
489 YZ9 0.8637
490 8GK 0.8637
491 XQK 0.8636
492 ODK 0.8634
493 ZME 0.8632
494 4Z4 0.8629
495 URC 0.8624
496 7FU 0.8624
497 I3A 0.8623
498 CB1 0.8623
499 505 0.8620
500 MZM 0.8620
501 CFF 0.8618
502 BQ2 0.8617
503 JRO 0.8615
504 7W1 0.8614
505 ICB 0.8614
506 5JQ 0.8613
507 F40 0.8610
508 PK3 0.8610
509 KIB 0.8609
510 VM1 0.8609
511 428 0.8608
512 F9Y 0.8606
513 KT7 0.8604
514 XCG 0.8603
515 3VS 0.8601
516 5XL 0.8600
517 2MQ 0.8595
518 CSN 0.8594
519 2QC 0.8590
520 42A 0.8588
521 CNI 0.8586
522 9CE 0.8585
523 EA1 0.8584
524 MPK 0.8582
525 6DP 0.8580
526 I7A 0.8579
527 LZM 0.8577
528 GO1 0.8576
529 28S 0.8575
530 L07 0.8573
531 4FS 0.8568
532 EJZ 0.8567
533 ES5 0.8562
534 H70 0.8560
535 EVF 0.8558
536 0W1 0.8556
537 OCH 0.8551
538 5JL 0.8550
539 R4E 0.8548
540 75K 0.8547
541 657 0.8544
542 PHH 0.8541
543 KJH 0.8539
544 MRW 0.8531
545 3R6 0.8531
546 DIN 0.8520
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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