Receptor
PDB id Resolution Class Description Source Keywords
1AOB 2.1 Å EC: 2.1.1.45 E. COLI THYMIDYLATE SYNTHASE COMPLEXED WITH DDURD ESCHERICHIA COLI TRANSFERASE (METHYLTRANSFERASE) SUBSTRATE MODULES
Ref.: THE ADDITIVITY OF SUBSTRATE FRAGMENTS IN ENZYME-LIGAND BINDING. STRUCTURE V. 6 839 1998
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DDU A:301;
Valid;
none;
submit data
212.203 C9 H12 N2 O4 C[C@@...
FMT A:302;
Invalid;
none;
submit data
46.025 C H2 O2 C(=O)...
PO4 A:300;
Invalid;
none;
submit data
94.971 O4 P [O-]P...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2KCE 2.2 Å EC: 2.1.1.45 BINDING OF THE ANTICANCER DRUG ZD1694 TO E. COLI THYMIDYLATE ASSESSING SPECIFICITY AND AFFINITY ESCHERICHIA COLI METHYLTRANSFERASE REACTION INTERMEDIATE ANTIFOLATE DRUG D
Ref.: BINDING OF THE ANTICANCER DRUG ZD1694 TO E. COLI TH SYNTHASE: ASSESSING SPECIFICITY AND AFFINITY. STRUCTURE V. 4 1317 1996
Members (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 33 families.
1 1BJG - TMF C20 H21 N7 O6 c1cc(ccc1C....
2 2VET - UMP C9 H13 N2 O8 P C1[C@@H]([....
3 2FTO - TMP C10 H15 N2 O8 P CC1=CN(C(=....
4 1TYS Kd = 3.27 uM DHF C19 H21 N7 O6 c1cc(ccc1C....
5 2BBQ - PFG C39 H44 N8 O15 C#CC[N@](C....
6 1BID - UMP C9 H13 N2 O8 P C1[C@@H]([....
7 4LRR Ki = 6 uM CF9 C18 H9 N O6 c1cc2c(ccc....
8 1AOB - DDU C9 H12 N2 O4 C[C@@H]1[C....
9 1F4E Ki = 1.1 mM TPR C12 H15 N O4 S Cc1ccc(cc1....
10 1BDU - DUR C9 H12 N2 O5 C1[C@@H]([....
11 1TRG - CB3 C24 H23 N5 O6 C#CCN(Cc1c....
12 2TSC - CB3 C24 H23 N5 O6 C#CCN(Cc1c....
13 2KCE Ki = 0.67 uM D16 C21 H22 N4 O6 S CC1=NC(=O)....
70% Homology Family (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 29 families.
1 1BJG - TMF C20 H21 N7 O6 c1cc(ccc1C....
2 2VET - UMP C9 H13 N2 O8 P C1[C@@H]([....
3 2FTO - TMP C10 H15 N2 O8 P CC1=CN(C(=....
4 1TYS Kd = 3.27 uM DHF C19 H21 N7 O6 c1cc(ccc1C....
5 2BBQ - PFG C39 H44 N8 O15 C#CC[N@](C....
6 1BID - UMP C9 H13 N2 O8 P C1[C@@H]([....
7 4LRR Ki = 6 uM CF9 C18 H9 N O6 c1cc2c(ccc....
8 1AOB - DDU C9 H12 N2 O4 C[C@@H]1[C....
9 1F4E Ki = 1.1 mM TPR C12 H15 N O4 S Cc1ccc(cc1....
10 1BDU - DUR C9 H12 N2 O5 C1[C@@H]([....
11 1TRG - CB3 C24 H23 N5 O6 C#CCN(Cc1c....
12 2TSC - CB3 C24 H23 N5 O6 C#CCN(Cc1c....
13 2KCE Ki = 0.67 uM D16 C21 H22 N4 O6 S CC1=NC(=O)....
50% Homology Family (61)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4E28 Ki = 1.3 uM 0MZ C19 H15 F3 N4 O3 S c1ccc(c(c1....
2 6QXG Ki = 1.1 nM UFP C9 H12 F N2 O8 P C1[C@@H]([....
3 6QXH - UMP C9 H13 N2 O8 P C1[C@@H]([....
4 1LCA - UMP C9 H13 N2 O8 P C1[C@@H]([....
5 1VZC - UFP C9 H12 F N2 O8 P C1[C@@H]([....
6 1LCB - TMP C10 H15 N2 O8 P CC1=CN(C(=....
7 1BO7 - U C9 H13 N2 O9 P C1=CN(C(=O....
8 2G8A - UMP C9 H13 N2 O8 P C1[C@@H]([....
9 1JMI Kd = 0.87 uM UMP C9 H13 N2 O8 P C1[C@@H]([....
10 1VZE - CB3 C24 H23 N5 O6 C#CCN(Cc1c....
11 1BO8 - U C9 H13 N2 O9 P C1=CN(C(=O....
12 1BPJ - UMP C9 H13 N2 O8 P C1[C@@H]([....
13 1VZA - UMP C9 H13 N2 O8 P C1[C@@H]([....
14 1NJE Kd = 160 uM DCM C9 H14 N3 O7 P C1[C@@H]([....
15 1JMH - UMP C9 H13 N2 O8 P C1[C@@H]([....
16 1TSL Ki = 0.7 uM A15 C24 H14 Cl2 O4 c1cc2cccc3....
17 2G86 Kd = 0.44 uM UMP C9 H13 N2 O8 P C1[C@@H]([....
18 1VZD - UFP C9 H12 F N2 O8 P C1[C@@H]([....
19 1NJD Kd = 2.7 uM UMP C9 H13 N2 O8 P C1[C@@H]([....
20 1BP6 - UMP C9 H13 N2 O8 P C1[C@@H]([....
21 1TVV - UMP C9 H13 N2 O8 P C1[C@@H]([....
22 1TVU - UMP C9 H13 N2 O8 P C1[C@@H]([....
23 1NJC Kd = 2.8 uM DCM C9 H14 N3 O7 P C1[C@@H]([....
24 1LCE - UMP C9 H13 N2 O8 P C1[C@@H]([....
25 1TSY Kd = 11 uM UMP C9 H13 N2 O8 P C1[C@@H]([....
26 1BP0 Kd = 4 uM UMP C9 H13 N2 O8 P C1[C@@H]([....
27 1NJA Kd = 0.49 uM DCM C9 H14 N3 O7 P C1[C@@H]([....
28 1VZB - UMP C9 H13 N2 O8 P C1[C@@H]([....
29 2G89 - UMP C9 H13 N2 O8 P C1[C@@H]([....
30 1TSX - UMP C9 H13 N2 O8 P C1[C@@H]([....
31 1JMF Kd = 1.7 uM UMP C9 H13 N2 O8 P C1[C@@H]([....
32 1JMG Kd = 0.85 uM UMP C9 H13 N2 O8 P C1[C@@H]([....
33 1TVW - UMP C9 H13 N2 O8 P C1[C@@H]([....
34 2G8D - UMP C9 H13 N2 O8 P C1[C@@H]([....
35 1BJG - TMF C20 H21 N7 O6 c1cc(ccc1C....
36 2VET - UMP C9 H13 N2 O8 P C1[C@@H]([....
37 2FTO - TMP C10 H15 N2 O8 P CC1=CN(C(=....
38 1TYS Kd = 3.27 uM DHF C19 H21 N7 O6 c1cc(ccc1C....
39 2BBQ - PFG C39 H44 N8 O15 C#CC[N@](C....
40 1BID - UMP C9 H13 N2 O8 P C1[C@@H]([....
41 4LRR Ki = 6 uM CF9 C18 H9 N O6 c1cc2c(ccc....
42 1AOB - DDU C9 H12 N2 O4 C[C@@H]1[C....
43 1F4E Ki = 1.1 mM TPR C12 H15 N O4 S Cc1ccc(cc1....
44 1BDU - DUR C9 H12 N2 O5 C1[C@@H]([....
45 1TRG - CB3 C24 H23 N5 O6 C#CCN(Cc1c....
46 2TSC - CB3 C24 H23 N5 O6 C#CCN(Cc1c....
47 2KCE Ki = 0.67 uM D16 C21 H22 N4 O6 S CC1=NC(=O)....
48 5H39 - UMP C9 H13 N2 O8 P C1[C@@H]([....
49 5H3A - D16 C21 H22 N4 O6 S CC1=NC(=O)....
50 1F28 Ki = 16 nM F89 C27 H24 N4 O6 CC1=Nc2ccc....
51 6PF6 - OEJ C22 H17 N5 O6 c1cc(ccc1C....
52 5X66 Kd = 1.19 uM UMP C9 H13 N2 O8 P C1[C@@H]([....
53 1I00 Ki = 0.46 uM D16 C21 H22 N4 O6 S CC1=NC(=O)....
54 1HVY - D16 C21 H22 N4 O6 S CC1=NC(=O)....
55 6PF3 - OE7 C21 H16 Cl N5 O4 c1cc(ccc1C....
56 6PF5 - OED C23 H21 N5 O5 COc1ccc(c(....
57 5X67 Kd = 1.19 uM UMP C9 H13 N2 O8 P C1[C@@H]([....
58 5X5D Kd = 1.19 uM UMP C9 H13 N2 O8 P C1[C@@H]([....
59 2AAZ - UMP C9 H13 N2 O8 P C1[C@@H]([....
60 6QYA - UMP C9 H13 N2 O8 P C1[C@@H]([....
61 5J7W Ki = 13 uM MTX C20 H22 N8 O5 CN(Cc1cnc2....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: DDU; Similar ligands found: 18
No: Ligand ECFP6 Tc MDL keys Tc
1 DDU 1 1
2 DUR 0.62963 0.825397
3 DUS 0.539683 0.684211
4 UMP 0.523077 0.753623
5 DU 0.523077 0.753623
6 DUD 0.485714 0.742857
7 UC5 0.485714 0.732394
8 DU4 0.48 0.779412
9 UM3 0.476923 0.73913
10 DUN 0.472222 0.722222
11 DUT 0.459459 0.742857
12 DU3 0.453333 0.776119
13 DUA 0.453333 0.753623
14 DUT MG 0.453333 0.764706
15 DUP 0.453333 0.722222
16 UMP AF3 PO4 0.441558 0.702703
17 UUA 0.419355 0.813559
18 URI 0.403226 0.793651
Similar Ligands (3D)
Ligand no: 1; Ligand: DDU; Similar ligands found: 718
No: Ligand Similarity coefficient
1 DCZ 0.9792
2 THU 0.9657
3 THM 0.9565
4 ID2 0.9534
5 AR3 0.9529
6 CTN 0.9494
7 B86 0.9489
8 0DN 0.9472
9 MCY 0.9472
10 URD 0.9460
11 CTD 0.9452
12 5BT 0.9448
13 5AE 0.9419
14 5MD 0.9411
15 3DT 0.9390
16 TYU 0.9387
17 I5A 0.9375
18 ZEB 0.9374
19 TRP 0.9334
20 2TU 0.9328
21 SCT 0.9328
22 5UD 0.9304
23 5AD 0.9289
24 F01 0.9283
25 EXR 0.9275
26 YF3 0.9259
27 3D1 0.9250
28 1Z6 0.9231
29 6FB 0.9226
30 PF1 0.9226
31 CK2 0.9225
32 GEO 0.9212
33 IOS 0.9208
34 QMR 0.9204
35 CH9 0.9192
36 ENO 0.9176
37 ZIQ 0.9168
38 DHZ 0.9164
39 MSR 0.9156
40 HWD 0.9155
41 363 0.9153
42 S0E 0.9151
43 9UL 0.9145
44 TYC 0.9144
45 LDC 0.9140
46 MDR 0.9138
47 DTR 0.9137
48 Y4L 0.9136
49 9R5 0.9129
50 CFA 0.9126
51 1A7 0.9121
52 HNK 0.9117
53 2HC 0.9117
54 OQC 0.9116
55 FTV 0.9115
56 X0U 0.9115
57 9BF 0.9112
58 HNL 0.9111
59 92G 0.9105
60 9FL 0.9102
61 6KT 0.9100
62 CPZ 0.9097
63 NVU 0.9093
64 KYA 0.9089
65 TYR 0.9087
66 OCZ 0.9087
67 78U 0.9084
68 46P 0.9082
69 XDK 0.9079
70 BGU 0.9078
71 EN1 0.9076
72 54Z 0.9074
73 15E 0.9069
74 KTJ 0.9067
75 B41 0.9065
76 4I8 0.9064
77 HHH 0.9064
78 DTY 0.9063
79 4BY 0.9060
80 MP5 0.9059
81 PFF 0.9059
82 7D7 0.9058
83 TIA 0.9058
84 657 0.9058
85 MMS 0.9054
86 LTT 0.9054
87 AHU 0.9054
88 1FD 0.9054
89 F4K 0.9050
90 TYL 0.9049
91 52C 0.9049
92 N0Z 0.9048
93 NAG 0.9048
94 X11 0.9047
95 SNU 0.9045
96 ODO 0.9044
97 FDR 0.9044
98 TYE 0.9042
99 BPY 0.9042
100 A5E 0.9042
101 4Z9 0.9041
102 4V2 0.9038
103 8U3 0.9038
104 RAB 0.9038
105 ITW 0.9037
106 HRM 0.9035
107 JRB 0.9034
108 3ZB 0.9034
109 BQ2 0.9033
110 795 0.9031
111 CC5 0.9030
112 TZF 0.9029
113 0JD 0.9028
114 2QC 0.9024
115 PJW 0.9023
116 X48 0.9020
117 N2Z 0.9018
118 BZ2 0.9017
119 C53 0.9015
120 3TC 0.9014
121 4BL 0.9013
122 GO2 0.9010
123 HX4 0.9009
124 IAC 0.9008
125 1F1 0.9008
126 15N 0.9007
127 JAH 0.9007
128 BRD 0.9006
129 AP4 0.9005
130 IOP 0.9004
131 JB8 0.9004
132 QUS 0.8999
133 6NT 0.8998
134 6NI 0.8998
135 KYN 0.8997
136 J9Q 0.8996
137 MPK 0.8995
138 UA5 0.8994
139 30G 0.8994
140 P7Y 0.8992
141 UNJ 0.8992
142 3NY 0.8992
143 I2E 0.8992
144 EVF 0.8991
145 ADN 0.8991
146 LLT 0.8991
147 61M 0.8990
148 FWD 0.8988
149 GWM 0.8988
150 4NS 0.8987
151 4RU 0.8985
152 4OG 0.8984
153 MAJ 0.8983
154 2K8 0.8983
155 ESX 0.8982
156 C1M 0.8981
157 BP7 0.8981
158 XCG 0.8979
159 0HN 0.8978
160 JDN 0.8977
161 CTE 0.8976
162 BZE 0.8976
163 P9E 0.8976
164 FHC 0.8975
165 JAW 0.8974
166 1WC 0.8971
167 8WO 0.8971
168 M5H 0.8971
169 2F6 0.8970
170 36Y 0.8969
171 8XL 0.8968
172 97T 0.8967
173 2ZM 0.8966
174 C82 0.8966
175 DAH 0.8965
176 ZON 0.8962
177 3VS 0.8961
178 PH3 0.8961
179 EUE 0.8961
180 7O4 0.8961
181 CK1 0.8960
182 36E 0.8959
183 PH2 0.8959
184 4JQ 0.8958
185 C2Y 0.8958
186 3A9 0.8957
187 2B4 0.8956
188 CWD 0.8956
189 6FZ 0.8956
190 HHS 0.8954
191 LL1 0.8953
192 YIE 0.8953
193 YOF 0.8952
194 NOS 0.8951
195 TMG 0.8949
196 2GQ 0.8949
197 4BF 0.8945
198 K80 0.8945
199 HSX 0.8944
200 EYV 0.8944
201 MS9 0.8944
202 0A1 0.8943
203 A 0.8941
204 54E 0.8941
205 IWD 0.8941
206 GVY 0.8941
207 EXL 0.8940
208 5JT 0.8940
209 TMC 0.8940
210 49O 0.8940
211 5LA 0.8939
212 IMH 0.8938
213 50C 0.8937
214 Y3L 0.8935
215 TT4 0.8934
216 0HO 0.8934
217 AWE 0.8933
218 5OO 0.8932
219 68A 0.8932
220 S24 0.8931
221 9ZE 0.8931
222 TBN 0.8930
223 G14 0.8930
224 GJP 0.8929
225 ODK 0.8929
226 6HO 0.8928
227 FZM 0.8927
228 CCV 0.8926
229 88L 0.8926
230 ISA 0.8924
231 UA2 0.8923
232 344 0.8923
233 0NX 0.8922
234 0BP 0.8922
235 TGX 0.8921
236 SKF 0.8921
237 505 0.8921
238 CNI 0.8920
239 THA 0.8920
240 BZJ 0.8920
241 E0O 0.8920
242 ZYV 0.8920
243 B2Y 0.8919
244 ZZA 0.8916
245 12T 0.8915
246 A5H 0.8915
247 NGA 0.8911
248 1A5 0.8911
249 BNL 0.8911
250 RKV 0.8910
251 PHE 0.8909
252 DX3 0.8907
253 3Y7 0.8907
254 WSD 0.8904
255 PQT 0.8903
256 RQD 0.8902
257 CSN 0.8902
258 E3X 0.8901
259 L22 0.8901
260 EXD 0.8900
261 92P 0.8900
262 PPY 0.8900
263 RA7 0.8899
264 5NI 0.8899
265 D1Y 0.8899
266 AMR 0.8898
267 ABI 0.8897
268 HC4 0.8896
269 A29 0.8895
270 SWX 0.8895
271 AD3 0.8894
272 RLG 0.8894
273 ZEC 0.8893
274 I3E 0.8893
275 DHY 0.8891
276 DEW 0.8891
277 MXD 0.8891
278 R9J 0.8890
279 HHR 0.8889
280 ONR 0.8886
281 2JX 0.8886
282 LTN 0.8886
283 MPV 0.8885
284 1KP 0.8885
285 2O6 0.8883
286 ICB 0.8883
287 1VK 0.8880
288 PLP 0.8880
289 ESI 0.8879
290 5VL 0.8879
291 4NP 0.8877
292 STT 0.8877
293 6TZ 0.8876
294 SDF 0.8875
295 0XT 0.8875
296 QIV 0.8873
297 56D 0.8873
298 ST2 0.8872
299 22L 0.8872
300 ENG 0.8872
301 ROI 0.8870
302 IWT 0.8870
303 IYR 0.8869
304 5F8 0.8868
305 NFM 0.8868
306 86L 0.8867
307 9DI 0.8865
308 XFE 0.8865
309 E4P 0.8864
310 HA5 0.8864
311 RUY 0.8863
312 78Y 0.8862
313 TR7 0.8862
314 W29 0.8861
315 ANC 0.8861
316 BIO 0.8860
317 2PK 0.8860
318 ANN 0.8860
319 F2W 0.8857
320 TIZ 0.8857
321 GF4 0.8857
322 DQU 0.8856
323 PRL 0.8855
324 AN3 0.8855
325 2HU 0.8855
326 3VQ 0.8855
327 FMB 0.8855
328 DRG 0.8854
329 HNH 0.8854
330 8NB 0.8853
331 EWG 0.8853
332 GZ2 0.8852
333 TZM 0.8852
334 89J 0.8850
335 36M 0.8848
336 1QP 0.8847
337 7AP 0.8847
338 6DP 0.8846
339 ESP 0.8846
340 BWD 0.8844
341 S60 0.8842
342 Z5P 0.8841
343 833 0.8841
344 QMS 0.8841
345 0GA 0.8840
346 4NZ 0.8839
347 PIM 0.8836
348 0F9 0.8835
349 V1T 0.8835
350 6QF 0.8835
351 ZME 0.8835
352 4ZA 0.8834
353 DTE 0.8833
354 5GV 0.8833
355 3QV 0.8832
356 5GT 0.8832
357 JZA 0.8832
358 DNB 0.8832
359 HQJ 0.8831
360 M02 0.8831
361 E1T 0.8830
362 8NX 0.8830
363 HJH 0.8829
364 LEL 0.8829
365 4HP 0.8827
366 R20 0.8826
367 LGT 0.8825
368 4WL 0.8824
369 MOK 0.8824
370 BRH 0.8824
371 9FH 0.8824
372 SHI 0.8823
373 3J8 0.8823
374 TSR 0.8820
375 8ZE 0.8819
376 4TU 0.8819
377 MJ5 0.8819
378 0FK 0.8819
379 LR8 0.8818
380 II4 0.8817
381 AH9 0.8817
382 2UB 0.8817
383 DEZ 0.8816
384 L13 0.8815
385 4P5 0.8815
386 HBO 0.8814
387 ETV 0.8813
388 K97 0.8813
389 9CA 0.8812
390 3BH 0.8812
391 FMC 0.8812
392 6J9 0.8812
393 M3Q 0.8811
394 DNA 0.8811
395 3L1 0.8810
396 GVG 0.8807
397 1KN 0.8806
398 1IT 0.8806
399 8D6 0.8806
400 428 0.8806
401 5F5 0.8805
402 HXY 0.8804
403 ARP 0.8803
404 B62 0.8802
405 NPA 0.8802
406 LZ5 0.8802
407 ZYR 0.8802
408 KP2 0.8801
409 CL9 0.8800
410 N2M 0.8800
411 AMQ 0.8799
412 MUR 0.8799
413 JF6 0.8799
414 4HB 0.8799
415 B1J 0.8799
416 FMQ 0.8798
417 JG8 0.8796
418 ALE 0.8796
419 4MB 0.8796
420 VM1 0.8795
421 3VW 0.8795
422 LNR 0.8794
423 CLU 0.8793
424 FQX 0.8792
425 7MX 0.8791
426 FBF 0.8789
427 M1Z 0.8789
428 2D2 0.8789
429 XYA 0.8789
430 KTW 0.8788
431 ST3 0.8788
432 HNM 0.8787
433 KF5 0.8786
434 D3G 0.8786
435 YZM 0.8786
436 PPN 0.8784
437 CS2 0.8783
438 F69 0.8783
439 H7S 0.8783
440 4Z1 0.8783
441 LO1 0.8782
442 9FG 0.8781
443 NCT 0.8781
444 HNT 0.8780
445 PEY 0.8780
446 KDG 0.8779
447 S7A 0.8779
448 RNO 0.8778
449 8HC 0.8778
450 I59 0.8778
451 2PV 0.8776
452 PLR 0.8773
453 NIY 0.8773
454 C0H 0.8771
455 PMP 0.8770
456 M4S 0.8769
457 MTL 0.8768
458 AOT 0.8767
459 MZM 0.8766
460 X0V 0.8765
461 80G 0.8765
462 NFA 0.8765
463 WOE 0.8763
464 5FL 0.8763
465 JMG 0.8763
466 TWO 0.8763
467 1XA 0.8762
468 SY4 0.8762
469 JWS 0.8761
470 RBV 0.8760
471 0UL 0.8759
472 H4E 0.8759
473 PNP 0.8758
474 4FF 0.8757
475 3AE 0.8757
476 EGR 0.8756
477 DBM 0.8756
478 0FR 0.8755
479 ANF 0.8754
480 XIZ 0.8754
481 CWJ 0.8754
482 A2G 0.8753
483 1SV 0.8753
484 HBI 0.8753
485 54X 0.8750
486 EV3 0.8750
487 PO6 0.8748
488 MUK 0.8748
489 ALN 0.8747
490 SNO 0.8747
491 HFA 0.8747
492 WV7 0.8746
493 3W8 0.8746
494 X0W 0.8745
495 ITE 0.8744
496 CKA 0.8744
497 FCD 0.8743
498 F4E 0.8742
499 EYJ 0.8741
500 N91 0.8741
501 SQ4 0.8741
502 X6P 0.8740
503 7VP 0.8739
504 M78 0.8738
505 JGB 0.8737
506 8MO 0.8736
507 AA 0.8736
508 GNG 0.8735
509 GLO 0.8734
510 46M 0.8734
511 PDC 0.8733
512 P81 0.8733
513 1OS 0.8733
514 5ID 0.8733
515 0OL 0.8731
516 BZQ 0.8731
517 G6P 0.8731
518 BG6 0.8731
519 H5B 0.8730
520 SYE 0.8729
521 AZM 0.8729
522 6SD 0.8728
523 EQW 0.8728
524 TSS 0.8727
525 1L5 0.8724
526 SQV 0.8723
527 TCA 0.8722
528 MQG 0.8722
529 2FX 0.8721
530 LZ2 0.8720
531 FPL 0.8720
532 BIK 0.8720
533 D2G 0.8720
534 JBZ 0.8719
535 9FE 0.8719
536 1HN 0.8718
537 L03 0.8718
538 PD2 0.8716
539 NDG 0.8714
540 PIY 0.8713
541 N3W 0.8712
542 9B3 0.8711
543 DE3 0.8710
544 AMS 0.8709
545 LL2 0.8707
546 5NS 0.8707
547 3R4 0.8707
548 2LY 0.8706
549 27B 0.8706
550 5E5 0.8705
551 B56 0.8704
552 AKD 0.8703
553 PXP 0.8703
554 BNX 0.8703
555 2UZ 0.8703
556 VXX 0.8702
557 WS7 0.8701
558 OA1 0.8701
559 BVD 0.8701
560 CXH 0.8700
561 4LW 0.8700
562 GNM 0.8698
563 DXK 0.8698
564 L5V 0.8698
565 FF2 0.8697
566 3VX 0.8697
567 PPT 0.8697
568 SOJ 0.8697
569 DHC 0.8693
570 PIQ 0.8691
571 XQI 0.8691
572 IPD 0.8690
573 51Y 0.8690
574 AES 0.8690
575 B3U 0.8690
576 2C2 0.8688
577 Z21 0.8688
578 4GU 0.8688
579 NGT 0.8686
580 F02 0.8685
581 NK5 0.8684
582 7QV 0.8684
583 M5E 0.8683
584 AHC 0.8682
585 9PL 0.8682
586 H4B 0.8680
587 EF9 0.8680
588 K82 0.8679
589 VUP 0.8678
590 FM1 0.8678
591 ERZ 0.8677
592 OW7 0.8677
593 XI7 0.8676
594 RP5 0.8676
595 EUH 0.8676
596 K4V 0.8676
597 5RP 0.8676
598 PLP PMP 0.8676
599 DNF 0.8675
600 WVV 0.8675
601 B4O 0.8674
602 LR5 0.8669
603 790 0.8668
604 5TY 0.8668
605 4KL 0.8667
606 MQB 0.8666
607 R2P 0.8666
608 4LV 0.8665
609 5V7 0.8665
610 X2M 0.8665
611 S2P 0.8665
612 HCI 0.8664
613 MTA 0.8660
614 A7H 0.8658
615 39O 0.8657
616 FK8 0.8656
617 DBQ 0.8654
618 2WU 0.8654
619 M3E 0.8654
620 4SX 0.8654
621 BL0 0.8653
622 DPN 0.8653
623 4VY 0.8651
624 HPP 0.8650
625 BTM 0.8649
626 7QS 0.8648
627 9NB 0.8647
628 7R7 0.8647
629 PUE 0.8645
630 LJ3 0.8644
631 AKG 0.8644
632 C0W 0.8643
633 CH8 0.8643
634 S0W 0.8641
635 9VQ 0.8641
636 549 0.8639
637 M4E 0.8639
638 G30 0.8638
639 PAU 0.8636
640 IC9 0.8634
641 2FY 0.8632
642 AUV 0.8631
643 HDH 0.8631
644 TJM 0.8630
645 B21 0.8630
646 TCR 0.8629
647 5O6 0.8628
648 6ZX 0.8626
649 GDE 0.8626
650 LIP 0.8626
651 4G2 0.8625
652 2LB 0.8624
653 NGW 0.8622
654 S7J 0.8622
655 HJ7 0.8622
656 K48 0.8620
657 OGA 0.8620
658 NCV 0.8619
659 GLP 0.8617
660 VC3 0.8615
661 N4E 0.8613
662 5TT 0.8612
663 N2I 0.8611
664 DPT 0.8611
665 JF2 0.8609
666 KBZ 0.8604
667 MD6 0.8603
668 AMH 0.8603
669 GCO 0.8601
670 L1T 0.8601
671 6C5 0.8599
672 MIL 0.8597
673 4JC 0.8596
674 AJY 0.8596
675 0W1 0.8595
676 3LJ 0.8594
677 BGP 0.8594
678 APS 0.8593
679 JY4 0.8592
680 6ZW 0.8591
681 LFQ 0.8591
682 R8Y 0.8590
683 3PG 0.8589
684 MQN 0.8586
685 2FQ 0.8585
686 BY5 0.8585
687 YE6 0.8582
688 E01 0.8582
689 A5Q 0.8580
690 S98 0.8580
691 SN4 0.8580
692 KLE 0.8580
693 GMP 0.8577
694 878 0.8577
695 ZSP 0.8575
696 4AU 0.8574
697 AVX 0.8574
698 QMP 0.8572
699 P80 0.8570
700 AX3 0.8566
701 K25 0.8564
702 5WZ 0.8562
703 GZQ 0.8562
704 AVI 0.8558
705 4CM 0.8553
706 0LH 0.8545
707 RVD 0.8544
708 R1P 0.8543
709 S0G 0.8542
710 6X9 0.8538
711 HPS 0.8537
712 BVA 0.8534
713 EKZ 0.8530
714 44W 0.8517
715 4NM 0.8515
716 0TU 0.8514
717 FBS 0.8510
718 ZHA 0.8506
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2KCE; Ligand: D16; 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: 2kce.bio1) has 42 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2KCE; Ligand: D16; 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: 2kce.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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