Receptor
PDB id Resolution Class Description Source Keywords
5I5T 2.31 Å EC: 2.6.1.42 X-RAY CRYSTAL STRUCTURE AT 2.31A RESOLUTION OF HUMAN MITOCHO BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A T ETRAHYDROQUINOLINE COMPOUND AND AN INTERNAL ALDIMINE LINKECO FACTOR. HOMO SAPIENS FOLD TYPE IV TRANSFERASE
Ref.: STRUCTURALLY DIVERSE MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) LEADS WITH VARYING BINDING IDENTIFIED BY FRAGMENT SCREENING. J.MED.CHEM. V. 59 2452 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO B:405;
A:407;
B:406;
A:406;
A:408;
A:405;
B:407;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
PLP B:401;
A:401;
Invalid;
Invalid;
none;
none;
submit data
247.142 C8 H10 N O6 P Cc1c(...
CL A:404;
A:403;
B:404;
B:403;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
35.453 Cl [Cl-]
67X B:402;
A:402;
Valid;
Valid;
none;
none;
submit data
226.295 C10 H14 N2 O2 S C[C@@...
DMS A:409;
Invalid;
none;
submit data
78.133 C2 H6 O S CS(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5I60 2.12 Å EC: 2.6.1.42 X-RAY CRYSTAL STRUCTURE AT 2.12A RESOLUTION OF HUMAN MITOCHO BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A BIC OMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR. HOMO SAPIENS FOLD TYPE IV TRANSFERASE
Ref.: STRUCTURALLY DIVERSE MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) LEADS WITH VARYING BINDING IDENTIFIED BY FRAGMENT SCREENING. J.MED.CHEM. V. 59 2452 2016
Members (21)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 5CR5 ic50 = 2 uM EL1 C24 H24 Br N3 O5 S2 CNC(=O)c1c....
2 1KT8 - ILP C14 H23 N2 O7 P CC[C@H](C)....
3 5BWR ic50 = 25 uM 4VT C14 H10 N4 O c1ccc(cc1)....
4 5I5W ic50 = 1 mM 68B C11 H9 N3 O c1ccc(cc1)....
5 5I5S - NVU C9 H7 N O3 c1ccc2c(c1....
6 5BWW ic50 = 0.5 uM 4W6 C16 H19 N5 O2 CCCC1=CC(=....
7 5I5U - 67Y C12 H15 N O2 c1ccc2c(c1....
8 5I5Y ic50 = 1 uM 68D C16 H13 N3 O4 S Cc1c2c(sc1....
9 5I60 ic50 = 0.00000001 M 67W C18 H15 N3 O3 c1ccc(c(c1....
10 5BWX ic50 = 16 nM 4W4 C18 H17 Cl F N5 O CCCCC1=CC(....
11 5I5V ic50 = 63 uM 68A C9 H8 N2 O3 S Cc1c2c(sc1....
12 5BWV ic50 = 79 nM 775 C17 H16 Cl N5 O CCCC1=CC(=....
13 5HNE ic50 = 50 nM EL2 C25 H24 Br N5 O2 S CNC(=O)c1c....
14 5BWU ic50 = 0.63 uM 4VR C15 H16 Br N5 O CCCC1=CC(=....
15 2HDK Kd = 6.1 mM COI C6 H10 O3 CC(C)CC(=O....
16 2A1H Ki = 65.4 mM GBN C9 H17 N O2 C1CCC(CC1)....
17 5I5T - 67X C10 H14 N2 O2 S C[C@@H]1Cc....
18 5I5X ic50 = 0.2 uM 68C C10 H7 N5 O2 S2 Cc1c2c(sc1....
19 2HG8 - MLE C7 H15 N O2 CC(C)C[C@@....
20 1KTA - KIV C5 H8 O3 CC(C)C(=O)....
21 5BWT - 4VS C10 H10 N4 O CCC1=CC(=O....
70% Homology Family (25)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 5CR5 ic50 = 2 uM EL1 C24 H24 Br N3 O5 S2 CNC(=O)c1c....
2 1KT8 - ILP C14 H23 N2 O7 P CC[C@H](C)....
3 5BWR ic50 = 25 uM 4VT C14 H10 N4 O c1ccc(cc1)....
4 5I5W ic50 = 1 mM 68B C11 H9 N3 O c1ccc(cc1)....
5 5I5S - NVU C9 H7 N O3 c1ccc2c(c1....
6 5BWW ic50 = 0.5 uM 4W6 C16 H19 N5 O2 CCCC1=CC(=....
7 5I5U - 67Y C12 H15 N O2 c1ccc2c(c1....
8 5I5Y ic50 = 1 uM 68D C16 H13 N3 O4 S Cc1c2c(sc1....
9 5I60 ic50 = 0.00000001 M 67W C18 H15 N3 O3 c1ccc(c(c1....
10 5BWX ic50 = 16 nM 4W4 C18 H17 Cl F N5 O CCCCC1=CC(....
11 5I5V ic50 = 63 uM 68A C9 H8 N2 O3 S Cc1c2c(sc1....
12 5BWV ic50 = 79 nM 775 C17 H16 Cl N5 O CCCC1=CC(=....
13 5HNE ic50 = 50 nM EL2 C25 H24 Br N5 O2 S CNC(=O)c1c....
14 5BWU ic50 = 0.63 uM 4VR C15 H16 Br N5 O CCCC1=CC(=....
15 2HDK Kd = 6.1 mM COI C6 H10 O3 CC(C)CC(=O....
16 2A1H Ki = 65.4 mM GBN C9 H17 N O2 C1CCC(CC1)....
17 5I5T - 67X C10 H14 N2 O2 S C[C@@H]1Cc....
18 5I5X ic50 = 0.2 uM 68C C10 H7 N5 O2 S2 Cc1c2c(sc1....
19 2HG8 - MLE C7 H15 N O2 CC(C)C[C@@....
20 1KTA - KIV C5 H8 O3 CC(C)C(=O)....
21 5BWT - 4VS C10 H10 N4 O CCC1=CC(=O....
22 2COI Ki = 3.5 mM GBN C9 H17 N O2 C1CCC(CC1)....
23 2COJ Ki = 1.3 mM GBN C9 H17 N O2 C1CCC(CC1)....
24 2COG - 4MV C6 H12 O2 CC(C)CCC(=....
25 2ABJ ic50 = 0.8 uM CBC C16 H10 Cl F3 N2 O4 S c1ccc(c(c1....
50% Homology Family (29)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 5CR5 ic50 = 2 uM EL1 C24 H24 Br N3 O5 S2 CNC(=O)c1c....
2 1KT8 - ILP C14 H23 N2 O7 P CC[C@H](C)....
3 5BWR ic50 = 25 uM 4VT C14 H10 N4 O c1ccc(cc1)....
4 5I5W ic50 = 1 mM 68B C11 H9 N3 O c1ccc(cc1)....
5 5I5S - NVU C9 H7 N O3 c1ccc2c(c1....
6 5BWW ic50 = 0.5 uM 4W6 C16 H19 N5 O2 CCCC1=CC(=....
7 5I5U - 67Y C12 H15 N O2 c1ccc2c(c1....
8 5I5Y ic50 = 1 uM 68D C16 H13 N3 O4 S Cc1c2c(sc1....
9 5I60 ic50 = 0.00000001 M 67W C18 H15 N3 O3 c1ccc(c(c1....
10 5BWX ic50 = 16 nM 4W4 C18 H17 Cl F N5 O CCCCC1=CC(....
11 5I5V ic50 = 63 uM 68A C9 H8 N2 O3 S Cc1c2c(sc1....
12 5BWV ic50 = 79 nM 775 C17 H16 Cl N5 O CCCC1=CC(=....
13 5HNE ic50 = 50 nM EL2 C25 H24 Br N5 O2 S CNC(=O)c1c....
14 5BWU ic50 = 0.63 uM 4VR C15 H16 Br N5 O CCCC1=CC(=....
15 2HDK Kd = 6.1 mM COI C6 H10 O3 CC(C)CC(=O....
16 2A1H Ki = 65.4 mM GBN C9 H17 N O2 C1CCC(CC1)....
17 5I5T - 67X C10 H14 N2 O2 S C[C@@H]1Cc....
18 5I5X ic50 = 0.2 uM 68C C10 H7 N5 O2 S2 Cc1c2c(sc1....
19 2HG8 - MLE C7 H15 N O2 CC(C)C[C@@....
20 1KTA - KIV C5 H8 O3 CC(C)C(=O)....
21 5BWT - 4VS C10 H10 N4 O CCC1=CC(=O....
22 2COI Ki = 3.5 mM GBN C9 H17 N O2 C1CCC(CC1)....
23 2COJ Ki = 1.3 mM GBN C9 H17 N O2 C1CCC(CC1)....
24 2COG - 4MV C6 H12 O2 CC(C)CCC(=....
25 2ABJ ic50 = 0.8 uM CBC C16 H10 Cl F3 N2 O4 S c1ccc(c(c1....
26 3UZO - PLP C8 H10 N O6 P Cc1c(c(c(c....
27 3UYY - PLP C8 H10 N O6 P Cc1c(c(c(c....
28 3HT5 - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
29 5U3F - 7TS C11 H14 N3 O7 P Cc1c(c(c(c....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 67X; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 67X 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 67X; Similar ligands found: 613
No: Ligand Similarity coefficient
1 MHK 0.9685
2 LZ2 0.9567
3 5NS 0.9558
4 7CT 0.9497
5 M5N 0.9403
6 5WY 0.9392
7 7FF 0.9386
8 CSN 0.9374
9 7ZE 0.9355
10 2ZQ 0.9347
11 8GK 0.9336
12 5NE 0.9324
13 IOS 0.9322
14 LT3 0.9320
15 4TU 0.9313
16 NID 0.9284
17 NLA 0.9273
18 JKZ 0.9264
19 790 0.9262
20 8XQ 0.9248
21 QPR 0.9247
22 LDR 0.9243
23 1X7 0.9239
24 9AP 0.9235
25 BK9 0.9231
26 NVU 0.9231
27 DNC 0.9231
28 MB1 0.9228
29 TSR 0.9212
30 PDC 0.9200
31 M0Q 0.9196
32 7VS 0.9195
33 GNJ 0.9191
34 KFH 0.9188
35 9UG 0.9186
36 INE 0.9185
37 HNQ 0.9183
38 HLD 0.9180
39 PEY 0.9178
40 ICO 0.9178
41 SR4 0.9176
42 0GZ 0.9168
43 39U 0.9161
44 FXH 0.9158
45 CKA 0.9157
46 L7T 0.9154
47 FLV 0.9151
48 Q6T 0.9148
49 KYA 0.9148
50 AKH 0.9146
51 091 0.9138
52 M1H 0.9133
53 4KL 0.9133
54 4MU 0.9131
55 6BL 0.9129
56 5RN 0.9129
57 QMS 0.9129
58 I6G 0.9128
59 M0W 0.9127
60 7NI 0.9122
61 CKU 0.9119
62 2LY 0.9118
63 TVP 0.9114
64 4ME 0.9107
65 DRG 0.9106
66 DNF 0.9095
67 7I2 0.9090
68 MT8 0.9087
69 Z5P 0.9083
70 DBJ 0.9082
71 5VJ 0.9080
72 CBF 0.9078
73 3MG 0.9078
74 60Q 0.9077
75 AIN 0.9077
76 FE DB1 0.9076
77 42C 0.9076
78 HLZ 0.9073
79 5PX 0.9071
80 X8D 0.9070
81 FBG 0.9069
82 C2Y 0.9066
83 CLZ 0.9064
84 GNV 0.9058
85 30G 0.9057
86 KIB 0.9053
87 M3Q 0.9050
88 2KA 0.9049
89 6VD 0.9048
90 OA3 0.9041
91 7B3 0.9036
92 92P 0.9035
93 MS9 0.9033
94 M2K 0.9031
95 BPU 0.9030
96 VK3 0.9030
97 NAG 0.9028
98 2J9 0.9026
99 226 0.9025
100 QX4 0.9017
101 EDM 0.9013
102 RD4 0.9012
103 GNY 0.9012
104 OW7 0.9010
105 8G0 0.9009
106 61M 0.9009
107 APS 0.9007
108 PFL 0.9004
109 JTA 0.9002
110 KGK 0.9000
111 U7E 0.8998
112 M4E 0.8994
113 PRF 0.8994
114 OTD 0.8992
115 7ME 0.8990
116 BZJ 0.8990
117 5OF 0.8989
118 DNA 0.8989
119 MS0 0.8987
120 SRO 0.8987
121 O2A 0.8985
122 I7A 0.8985
123 TQU 0.8983
124 MZM 0.8983
125 M1E 0.8979
126 IQ5 0.8978
127 ZZ8 0.8977
128 ARP 0.8976
129 PD2 0.8976
130 TXW 0.8969
131 1X8 0.8968
132 SYA 0.8967
133 GV9 0.8962
134 GSY 0.8959
135 DA4 0.8957
136 EV3 0.8957
137 12B 0.8955
138 I3C 0.8952
139 IAC 0.8950
140 URC 0.8949
141 OKM 0.8948
142 7M6 0.8948
143 GOX 0.8945
144 5FN 0.8945
145 BA5 0.8942
146 F12 0.8941
147 K3Q 0.8939
148 2SX 0.8938
149 NGO 0.8937
150 1Z8 0.8937
151 7WR 0.8933
152 BRV 0.8931
153 K5W 0.8927
154 AZM 0.8923
155 F95 0.8923
156 8HC 0.8922
157 5VL 0.8922
158 QQQ 0.8922
159 TTY 0.8921
160 DQU 0.8918
161 NGT 0.8917
162 NTZ 0.8916
163 2O6 0.8913
164 HQD 0.8912
165 MQB 0.8912
166 4AV 0.8911
167 EVA 0.8911
168 IBM 0.8911
169 DX3 0.8910
170 GJS 0.8910
171 EYA 0.8910
172 1KP 0.8909
173 B62 0.8906
174 5GT 0.8905
175 3R6 0.8905
176 AJ2 0.8904
177 GM7 0.8904
178 67Y 0.8904
179 I7B 0.8903
180 SXS 0.8901
181 VM1 0.8901
182 23J 0.8900
183 Q24 0.8898
184 15N 0.8898
185 MYI 0.8897
186 AQO 0.8895
187 KBB 0.8893
188 GCU 0.8893
189 0F9 0.8892
190 M6Z 0.8891
191 JTH 0.8891
192 HA7 0.8888
193 NDG 0.8888
194 0LH 0.8888
195 AA 0.8887
196 GCB 0.8886
197 DBX 0.8884
198 44V 0.8883
199 4HC 0.8880
200 RXA 0.8879
201 4A5 0.8879
202 MUA 0.8878
203 XQK 0.8877
204 NQ 0.8876
205 6XI 0.8876
206 EYM 0.8876
207 M5H 0.8876
208 BNT 0.8876
209 BDP 0.8875
210 H5B 0.8874
211 3TJ 0.8873
212 J9W 0.8873
213 YQA 0.8872
214 8TX 0.8872
215 54X 0.8871
216 2JK 0.8871
217 A7W 0.8870
218 G1P 0.8870
219 8VN 0.8869
220 ZZZ 0.8869
221 LSA 0.8868
222 QAS 0.8867
223 APZ 0.8866
224 0FK 0.8865
225 06B 0.8865
226 BGC 0.8864
227 M6N 0.8862
228 MEW 0.8862
229 DIN 0.8862
230 UFV 0.8862
231 D07 0.8860
232 AVR 0.8859
233 MO8 0.8858
234 692 0.8857
235 9LI 0.8854
236 I59 0.8853
237 GZ8 0.8853
238 KIA 0.8852
239 2D3 0.8851
240 UAN 0.8848
241 VXX 0.8846
242 0W8 0.8846
243 Q02 0.8845
244 PQ0 0.8845
245 FOT 0.8844
246 6ME 0.8843
247 5WU 0.8843
248 CX4 0.8842
249 EPR 0.8842
250 W81 0.8841
251 MRW 0.8841
252 582 0.8841
253 AZ8 0.8841
254 EA1 0.8839
255 M1Q 0.8838
256 PYQ 0.8838
257 PE0 0.8838
258 EYK 0.8838
259 6DP 0.8837
260 ANF 0.8834
261 75K 0.8833
262 DIE 0.8833
263 XQG 0.8832
264 A13 0.8832
265 OMD 0.8832
266 5WX 0.8831
267 64C 0.8830
268 ROI 0.8829
269 5RO 0.8829
270 ZON 0.8828
271 VNL 0.8828
272 5JQ 0.8827
273 2FY 0.8827
274 9UL 0.8826
275 KLK 0.8825
276 DTR 0.8825
277 TRP 0.8825
278 3J8 0.8824
279 QAT 0.8824
280 0N7 0.8824
281 AZ9 0.8823
282 ONR 0.8821
283 EY7 0.8820
284 XHP 0.8820
285 JXZ 0.8820
286 TSS 0.8820
287 UFO 0.8819
288 THA 0.8818
289 M5K 0.8817
290 WUB 0.8817
291 L98 0.8817
292 6R8 0.8816
293 61O 0.8815
294 8VE 0.8813
295 PJW 0.8812
296 0GY 0.8811
297 X0W 0.8811
298 YSO 0.8810
299 G5V 0.8806
300 0JD 0.8803
301 I3A 0.8803
302 5F5 0.8802
303 LI6 0.8802
304 VYM 0.8802
305 1U6 0.8802
306 EJZ 0.8800
307 44W 0.8800
308 DK1 0.8800
309 3FH 0.8799
310 IPT 0.8796
311 C2U 0.8796
312 1F1 0.8795
313 8MO 0.8795
314 28N 0.8795
315 JR2 0.8794
316 MAJ 0.8793
317 3MB 0.8792
318 549 0.8791
319 DRL 0.8791
320 B55 0.8791
321 GOG 0.8788
322 MUR 0.8787
323 PH2 0.8787
324 P84 0.8787
325 7MX 0.8786
326 3C2 0.8784
327 8NX 0.8782
328 NBG 0.8782
329 MJ2 0.8782
330 9FL 0.8781
331 MWP 0.8780
332 4NO 0.8780
333 KJU 0.8780
334 XFE 0.8779
335 R6T 0.8775
336 5JL 0.8774
337 UNC 0.8773
338 BTY 0.8772
339 IJZ 0.8770
340 R9Y 0.8770
341 4XY 0.8769
342 6NI 0.8769
343 H05 0.8767
344 MVN 0.8766
345 2AK 0.8766
346 7HQ 0.8765
347 QBK 0.8765
348 FWB 0.8765
349 AY4 0.8763
350 LP8 0.8762
351 2CG 0.8762
352 II6 0.8761
353 GNL 0.8761
354 LEL 0.8761
355 OVM 0.8760
356 GLC 0.8760
357 0HO 0.8759
358 HA5 0.8759
359 1AL 0.8758
360 C8O 0.8758
361 XM5 0.8758
362 3C1 0.8758
363 PRZ 0.8755
364 E1T 0.8755
365 F31 0.8753
366 FDR 0.8752
367 QM1 0.8749
368 EWG 0.8749
369 XAZ 0.8749
370 MAQ 0.8748
371 495 0.8748
372 8WZ 0.8747
373 G12 0.8747
374 UEG 0.8746
375 3NY 0.8746
376 LZM 0.8746
377 0FO 0.8746
378 1HN 0.8745
379 2FQ 0.8744
380 HBO 0.8743
381 9KT 0.8743
382 6KT 0.8742
383 0HN 0.8741
384 6NT 0.8740
385 HXX 0.8740
386 96R 0.8740
387 OW4 0.8740
388 DPZ 0.8739
389 AKD 0.8737
390 MNP 0.8737
391 B60 0.8736
392 209 0.8735
393 ICT 0.8735
394 F69 0.8735
395 OTW 0.8735
396 9ZE 0.8735
397 6J9 0.8733
398 ZB1 0.8733
399 TT4 0.8733
400 MXX 0.8733
401 NSG 0.8732
402 49O 0.8732
403 PFB 0.8730
404 ZYR 0.8730
405 3A9 0.8728
406 5NI 0.8728
407 GDL 0.8726
408 YKG 0.8726
409 FBU 0.8725
410 CWJ 0.8725
411 BIK 0.8725
412 2ZM 0.8724
413 X09 0.8724
414 57O 0.8723
415 H33 0.8722
416 9KH 0.8720
417 49N 0.8719
418 GTV 0.8718
419 TNF 0.8718
420 T6Z 0.8717
421 878 0.8717
422 CH9 0.8716
423 R1P 0.8716
424 42A 0.8716
425 1IT 0.8715
426 4XH 0.8715
427 1U1 0.8715
428 ODO 0.8713
429 P9T 0.8713
430 1QP 0.8713
431 8IG 0.8712
432 KDO 0.8712
433 KW8 0.8712
434 8XL 0.8711
435 GJP 0.8710
436 GTQ 0.8709
437 344 0.8709
438 V55 0.8709
439 RM1 0.8708
440 9CA 0.8707
441 LGC 0.8707
442 MT0 0.8706
443 3GQ 0.8705
444 9FE 0.8705
445 JP2 0.8704
446 TEP 0.8703
447 TOF 0.8702
448 Q71 0.8702
449 GCS 0.8701
450 GLY PRO 0.8700
451 SKF 0.8699
452 GAL 0.8699
453 FUJ 0.8698
454 OVP 0.8697
455 TNL 0.8696
456 4RU 0.8695
457 PXL 0.8694
458 5LD 0.8692
459 KT7 0.8692
460 GCV 0.8691
461 CFF 0.8690
462 JAW 0.8690
463 NCD 0.8690
464 PA5 0.8689
465 4OG 0.8689
466 CFA 0.8686
467 SLS 0.8684
468 XEN 0.8683
469 9MG 0.8682
470 EUG 0.8681
471 ALN 0.8681
472 49P 0.8681
473 L07 0.8680
474 8S0 0.8680
475 G3F 0.8679
476 9BF 0.8677
477 RVE 0.8676
478 GTZ 0.8674
479 E1K 0.8674
480 DIU 0.8673
481 J9Q 0.8673
482 3DM 0.8673
483 PX7 0.8672
484 TTL 0.8672
485 HTP 0.8671
486 KIF 0.8671
487 HHR 0.8670
488 97T 0.8670
489 PQK 0.8666
490 K32 0.8666
491 MST 0.8661
492 HKD 0.8661
493 IV2 0.8661
494 P9E 0.8661
495 NDH 0.8660
496 N2I 0.8658
497 2HU 0.8658
498 KJ5 0.8658
499 94W 0.8657
500 5RG 0.8655
501 5OB 0.8653
502 GDE 0.8650
503 PXM 0.8650
504 7SX 0.8649
505 TWB 0.8649
506 9DG 0.8649
507 SYR 0.8647
508 9X5 0.8647
509 9PY 0.8647
510 MBG 0.8644
511 5M0 0.8644
512 2V0 0.8644
513 GT0 0.8643
514 NGA 0.8642
515 NPA 0.8642
516 NTM 0.8642
517 QBS 0.8642
518 54G 0.8642
519 AMR 0.8642
520 2UZ 0.8640
521 FLC 0.8640
522 CIT 0.8640
523 JU2 0.8640
524 6OT 0.8637
525 QNA 0.8637
526 52C 0.8636
527 CTS 0.8635
528 NQM 0.8635
529 TWO 0.8634
530 GHM 0.8634
531 DHK 0.8633
532 FTV 0.8632
533 ABI 0.8631
534 XAN 0.8631
535 MVL 0.8631
536 0XT 0.8629
537 LAO 0.8629
538 F2W 0.8629
539 SHG 0.8628
540 9R5 0.8628
541 K82 0.8627
542 F0J 0.8627
543 AEZ 0.8627
544 GC2 0.8626
545 4AA 0.8625
546 2ED 0.8624
547 4VY 0.8624
548 OAI 0.8623
549 IPD 0.8622
550 SOR 0.8622
551 4XV 0.8620
552 9TZ 0.8620
553 R8Y 0.8620
554 1LQ 0.8619
555 5DL 0.8617
556 CUT 0.8617
557 FIX 0.8615
558 4HM 0.8615
559 5GU 0.8615
560 329 0.8615
561 EN1 0.8613
562 HQ9 0.8612
563 5V7 0.8611
564 5MK 0.8610
565 E7Z 0.8610
566 EV2 0.8608
567 MNS 0.8607
568 2AL 0.8604
569 IQU 0.8604
570 D1X 0.8603
571 5QX 0.8603
572 3N4 0.8602
573 PHT 0.8601
574 1A7 0.8601
575 JB8 0.8601
576 68A 0.8600
577 LIP 0.8600
578 8W9 0.8600
579 KWQ 0.8599
580 8ZE 0.8598
581 BZ3 0.8598
582 E7R 0.8597
583 S0E 0.8597
584 A2G 0.8595
585 680 0.8594
586 V1T 0.8594
587 4AN 0.8593
588 GUN 0.8592
589 GIM 0.8591
590 HHT 0.8590
591 Q88 0.8589
592 LFQ 0.8585
593 DBH 0.8584
594 HJP 0.8578
595 4I8 0.8577
596 BHA 0.8571
597 J01 0.8571
598 34D 0.8567
599 JDN 0.8564
600 JND 0.8564
601 FA0 0.8564
602 MCO 0.8560
603 5XC 0.8560
604 JG8 0.8552
605 K22 0.8551
606 SWA 0.8549
607 SLC 0.8547
608 SBI 0.8541
609 B5D 0.8541
610 3F0 0.8537
611 JXN 0.8533
612 MT5 0.8530
613 ORO 0.8526
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5I60; Ligand: 67W; Similar sites found with APoc: 2
This union binding pocket(no: 1) in the query (biounit: 5i60.bio1) has 41 residues
No: Leader PDB Ligand Sequence Similarity
1 6XU3 PLP 24.3902
2 6XU3 PLP 24.3902
Pocket No.: 2; Query (leader) PDB : 5I60; Ligand: 67W; Similar sites found with APoc: 2
This union binding pocket(no: 2) in the query (biounit: 5i60.bio1) has 41 residues
No: Leader PDB Ligand Sequence Similarity
1 6XU3 PLP 24.3902
2 6XU3 PLP 24.3902
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