Receptor
PDB id Resolution Class Description Source Keywords
4WYA 2.5 Å EC: 2.6.1.62 CRYSTAL STRUCTURE OF 7,8-DIAMINOPELARGONIC ACID SYNTHASE (BI MYCOBACTERIUM TUBERCULOSIS, COMPLEXED WITH A FRAGMENT HIT MYCOBACTERIUM TUBERCULOSIS (STRAIN ATCH37RV) INHIBITOR COMPLEX TRANSAMINASE PLP TRANSFERASE-TRANSFERASE COMPLEX
Ref.: FRAGMENT-BASED EXPLORATION OF BINDING SITE FLEXIBIL MYCOBACTERIUM TUBERCULOSIS BIOA. J.MED.CHEM. V. 58 5208 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PLP B:502;
D:502;
C:501;
A:501;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
247.142 C8 H10 N O6 P Cc1c(...
3VQ B:501;
D:501;
 Valid;
Valid;
 none;
none;
 Kd = 6.9 uM
204.248 C10 H8 N2 O S c1ccn...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5KGS 2.1 Å EC: 2.6.1.62 CRYSTAL STRUCTURE OF 7,8-DIAMINOPELARGONIC ACID SYNTHASE (BI MYCOBACTERIUM TUBERCULOSIS, COMPLEXED WITH AN INHIBITOR OPTF ROM HTS LEAD: 5-[4-(1,3-BENZODIOXOL-5-YLCARBONYL)PIPERAZIN3- DIHYDROINDEN-1-ONE MYCOBACTERIUM BOVIS (STRAIN ATCC BAA-9AF2122/97) TRANSAMINASE PLP TRANSFERASE TRANSFERASE-INHIBITOR COMPLETRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.: STRUCTURE-BASED OPTIMIZATION OF PYRIDOXAL 5'-PHOSPHATE-DEPENDENT TRANSAMINASE ENZYME (BIOA) I THAT TARGET BIOTIN BIOSYNTHESIS IN MYCOBACTERIUM TUBERCULOSIS. J. MED. CHEM. V. 60 5507 2017
Members (22)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4WYC Kd = 15 uM 3VS C10 H9 N3 O c1cc(ccc1C....
2 4CXR - 2BG C8 H8 N2 S c1ccc2c(c1....
3 3TFU - PL8 C16 H22 N3 O7 P Cc1c(c(c(c....
4 4MQR - 2B9 C14 H15 N4 O6 P CC1=C(/C(=....
5 4MQP - 2B1 C15 H15 N4 O5 P S Cc1c(c(c(c....
6 4XJO Kd = 132 nM 41O C20 H17 Cl N2 O2 c1cc(cc(c1....
7 5KGS Kd = 74 nM 6SR C21 H20 N2 O4 c1cc2c(cc1....
8 4W1W ic50 = 0.195 uM 3G8 C18 H17 N O3 S CCN(CC)c1c....
9 4WYG Kd = 6.8 uM 3W1 C11 H12 Cl N3 c1cc(ccc1C....
10 4MQQ - 2B6 C16 H15 N4 O6 P S Cc1c(c(c(c....
11 4XEW ic50 = 0.44 uM 40N C16 H10 F N O3 c1ccc(c(c1....
12 4W1V ic50 = 0.659 uM 3GS C16 H14 F N O5 S COC(=O)c1c....
13 4XJP Kd = 108 nM 41N C20 H20 N2 O4 CC(=O)c1cc....
14 4WYF Kd = 21.7 uM 3VX C11 H9 N O2 CC(=O)Nc1c....
15 4WYA Kd = 6.9 uM 3VQ C10 H8 N2 O S c1ccnc(c1)....
16 4W1X - 3G9 C19 H19 Cl N2 O2 CC(=O)c1cc....
17 5KGT - 6SQ C20 H20 Cl N O2 CC(=O)c1cc....
18 4WYE Kd = 41.8 uM 3VW C12 H15 N O c1ccc(cc1)....
19 4CXQ - KAP C9 H17 N O3 C[C@@H](C(....
20 4WYD Kd = 11.7 uM 3VR C12 H15 N3 CNCc1ccc(c....
21 3LV2 - SFG C15 H23 N7 O5 c1nc(c2c(n....
22 5TE2 - 7B9 C16 H22 N3 O7 P Cc1c(c(c(c....
70% Homology Family (22)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4WYC Kd = 15 uM 3VS C10 H9 N3 O c1cc(ccc1C....
2 4CXR - 2BG C8 H8 N2 S c1ccc2c(c1....
3 3TFU - PL8 C16 H22 N3 O7 P Cc1c(c(c(c....
4 4MQR - 2B9 C14 H15 N4 O6 P CC1=C(/C(=....
5 4MQP - 2B1 C15 H15 N4 O5 P S Cc1c(c(c(c....
6 4XJO Kd = 132 nM 41O C20 H17 Cl N2 O2 c1cc(cc(c1....
7 5KGS Kd = 74 nM 6SR C21 H20 N2 O4 c1cc2c(cc1....
8 4W1W ic50 = 0.195 uM 3G8 C18 H17 N O3 S CCN(CC)c1c....
9 4WYG Kd = 6.8 uM 3W1 C11 H12 Cl N3 c1cc(ccc1C....
10 4MQQ - 2B6 C16 H15 N4 O6 P S Cc1c(c(c(c....
11 4XEW ic50 = 0.44 uM 40N C16 H10 F N O3 c1ccc(c(c1....
12 4W1V ic50 = 0.659 uM 3GS C16 H14 F N O5 S COC(=O)c1c....
13 4XJP Kd = 108 nM 41N C20 H20 N2 O4 CC(=O)c1cc....
14 4WYF Kd = 21.7 uM 3VX C11 H9 N O2 CC(=O)Nc1c....
15 4WYA Kd = 6.9 uM 3VQ C10 H8 N2 O S c1ccnc(c1)....
16 4W1X - 3G9 C19 H19 Cl N2 O2 CC(=O)c1cc....
17 5KGT - 6SQ C20 H20 Cl N O2 CC(=O)c1cc....
18 4WYE Kd = 41.8 uM 3VW C12 H15 N O c1ccc(cc1)....
19 4CXQ - KAP C9 H17 N O3 C[C@@H](C(....
20 4WYD Kd = 11.7 uM 3VR C12 H15 N3 CNCc1ccc(c....
21 3LV2 - SFG C15 H23 N7 O5 c1nc(c2c(n....
22 5TE2 - 7B9 C16 H22 N3 O7 P Cc1c(c(c(c....
50% Homology Family (19)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4WYC Kd = 15 uM 3VS C10 H9 N3 O c1cc(ccc1C....
2 4CXR - 2BG C8 H8 N2 S c1ccc2c(c1....
3 3TFU - PL8 C16 H22 N3 O7 P Cc1c(c(c(c....
4 4W1W ic50 = 0.195 uM 3G8 C18 H17 N O3 S CCN(CC)c1c....
5 4WYG Kd = 6.8 uM 3W1 C11 H12 Cl N3 c1cc(ccc1C....
6 4MQQ - 2B6 C16 H15 N4 O6 P S Cc1c(c(c(c....
7 4XEW ic50 = 0.44 uM 40N C16 H10 F N O3 c1ccc(c(c1....
8 4W1V ic50 = 0.659 uM 3GS C16 H14 F N O5 S COC(=O)c1c....
9 4XJP Kd = 108 nM 41N C20 H20 N2 O4 CC(=O)c1cc....
10 4WYF Kd = 21.7 uM 3VX C11 H9 N O2 CC(=O)Nc1c....
11 4WYA Kd = 6.9 uM 3VQ C10 H8 N2 O S c1ccnc(c1)....
12 4W1X - 3G9 C19 H19 Cl N2 O2 CC(=O)c1cc....
13 5KGT - 6SQ C20 H20 Cl N O2 CC(=O)c1cc....
14 4WYE Kd = 41.8 uM 3VW C12 H15 N O c1ccc(cc1)....
15 4CXQ - KAP C9 H17 N O3 C[C@@H](C(....
16 4WYD Kd = 11.7 uM 3VR C12 H15 N3 CNCc1ccc(c....
17 3LV2 - SFG C15 H23 N7 O5 c1nc(c2c(n....
18 5TE2 - 7B9 C16 H22 N3 O7 P Cc1c(c(c(c....
19 1MLZ - TZA PLP n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 3VQ; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 3VQ 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 3VQ; Similar ligands found: 814
No: Ligand Similarity coefficient
1 KLE 1.0000
2 ODK 1.0000
3 JMG 1.0000
4 G14 1.0000
5 ZZA 0.9991
6 7O4 0.9863
7 6MW 0.9784
8 PUE 0.9778
9 2D2 0.9742
10 LZ5 0.9731
11 5H6 0.9717
12 LR8 0.9703
13 9FH 0.9701
14 0NX 0.9701
15 4FF 0.9679
16 3VS 0.9667
17 8D6 0.9667
18 1A5 0.9659
19 RA7 0.9628
20 VC3 0.9622
21 FCD 0.9621
22 JCZ 0.9618
23 QIV 0.9611
24 XI7 0.9609
25 2FX 0.9595
26 L1T 0.9587
27 GO2 0.9585
28 363 0.9585
29 M4N 0.9566
30 TCR 0.9560
31 XCG 0.9557
32 78Y 0.9546
33 8CC 0.9541
34 Y3L 0.9532
35 6FG 0.9528
36 4AU 0.9521
37 TMG 0.9506
38 6P3 0.9504
39 RKV 0.9502
40 FZM 0.9500
41 A9B 0.9478
42 P7V 0.9477
43 0K7 0.9477
44 0UL 0.9472
45 YE6 0.9471
46 5C1 0.9467
47 X48 0.9466
48 6FB 0.9465
49 BP7 0.9463
50 5FL 0.9460
51 B1J 0.9460
52 D9Z 0.9459
53 6C8 0.9457
54 FHV 0.9455
55 S0D 0.9455
56 795 0.9449
57 K48 0.9447
58 E3X 0.9422
59 3VX 0.9421
60 6KT 0.9421
61 LL1 0.9421
62 1XS 0.9420
63 5F8 0.9413
64 5E5 0.9412
65 PQM 0.9411
66 NK5 0.9405
67 LFQ 0.9404
68 4HB 0.9403
69 MD6 0.9403
70 492 0.9400
71 5B2 0.9394
72 D2G 0.9386
73 PRL 0.9385
74 C82 0.9382
75 6SD 0.9381
76 6C4 0.9379
77 KLS 0.9377
78 833 0.9374
79 A6W 0.9371
80 0SY 0.9366
81 F4K 0.9365
82 FQX 0.9357
83 BVS 0.9357
84 N91 0.9354
85 JAH 0.9354
86 SWX 0.9354
87 5TY 0.9351
88 PIQ 0.9351
89 2QC 0.9350
90 D3G 0.9347
91 0DF 0.9345
92 N1E 0.9334
93 FC2 0.9333
94 3R4 0.9333
95 5TZ 0.9333
96 TJM 0.9330
97 MSR 0.9327
98 A51 0.9324
99 JBZ 0.9323
100 68B 0.9322
101 5TO 0.9320
102 B21 0.9317
103 ZRK 0.9316
104 4BL 0.9313
105 2J1 0.9312
106 QBP 0.9308
107 ERZ 0.9307
108 6C5 0.9306
109 WA1 0.9304
110 C53 0.9301
111 2O8 0.9299
112 HRM 0.9299
113 AVA 0.9299
114 AN3 0.9298
115 37E 0.9297
116 AOT 0.9291
117 QME 0.9290
118 A5E 0.9289
119 BIK 0.9287
120 TRP 0.9284
121 D25 0.9282
122 BZQ 0.9281
123 X6W 0.9281
124 5VU 0.9280
125 L03 0.9278
126 PPY 0.9276
127 Q4G 0.9274
128 4LW 0.9273
129 FMQ 0.9272
130 EQW 0.9272
131 I2E 0.9271
132 CPZ 0.9267
133 0LO 0.9267
134 PQS 0.9266
135 4BY 0.9261
136 GVY 0.9257
137 4MB 0.9254
138 EV2 0.9253
139 NDD 0.9252
140 IWT 0.9250
141 1EB 0.9246
142 X0U 0.9242
143 9JT 0.9242
144 YZM 0.9242
145 K4V 0.9241
146 5TT 0.9239
147 P93 0.9237
148 D1G 0.9235
149 4NP 0.9233
150 28A 0.9232
151 A5Q 0.9230
152 EWG 0.9229
153 SNU 0.9229
154 HX4 0.9227
155 C4E 0.9227
156 0ON 0.9224
157 HNT 0.9221
158 ITE 0.9219
159 4I8 0.9215
160 7EH 0.9214
161 VM1 0.9213
162 KMY 0.9213
163 5GV 0.9213
164 92G 0.9211
165 PQT 0.9210
166 TID 0.9210
167 1PS 0.9208
168 3ZB 0.9201
169 4BX 0.9199
170 ZHA 0.9197
171 2PV 0.9196
172 EYJ 0.9195
173 7MW 0.9190
174 TZF 0.9188
175 H75 0.9187
176 E1T 0.9184
177 L2K 0.9183
178 J1K 0.9182
179 549 0.9182
180 CK2 0.9180
181 KYN 0.9180
182 GZ2 0.9179
183 BZJ 0.9177
184 9NB 0.9175
185 C1M 0.9175
186 657 0.9174
187 SNO 0.9174
188 7FU 0.9174
189 XDK 0.9171
190 LEL 0.9170
191 6DQ 0.9168
192 LOT 0.9168
193 4G2 0.9165
194 TYR 0.9165
195 3VW 0.9161
196 4FC 0.9161
197 MR6 0.9161
198 RSV 0.9160
199 47V 0.9160
200 OQC 0.9160
201 LR2 0.9157
202 8V8 0.9157
203 7VP 0.9157
204 U13 0.9157
205 F18 0.9156
206 ENO 0.9155
207 II4 0.9153
208 L15 0.9152
209 M83 0.9150
210 A5H 0.9150
211 MKN 0.9148
212 L22 0.9146
213 9UL 0.9146
214 A7Q 0.9146
215 4NS 0.9143
216 2PK 0.9143
217 JF8 0.9142
218 AJG 0.9140
219 36Y 0.9136
220 FCW 0.9135
221 F40 0.9135
222 397 0.9133
223 80G 0.9132
224 2P3 0.9131
225 11X 0.9130
226 5F5 0.9130
227 ESX 0.9130
228 0FR 0.9130
229 OLU 0.9130
230 UNJ 0.9127
231 94W 0.9127
232 VFM 0.9125
233 AUV 0.9125
234 0JD 0.9123
235 7L4 0.9122
236 SB7 0.9121
237 2JX 0.9118
238 3C5 0.9118
239 36M 0.9117
240 AES 0.9117
241 S1D 0.9116
242 H4E 0.9116
243 SLS 0.9115
244 6H2 0.9114
245 IQQ 0.9114
246 V1T 0.9113
247 ANC 0.9111
248 BPY 0.9109
249 PNP 0.9108
250 EUE 0.9108
251 AMR 0.9108
252 LO1 0.9107
253 L5D 0.9105
254 N4E 0.9103
255 YE7 0.9100
256 AJ1 0.9100
257 J9N 0.9098
258 AVX 0.9095
259 GO8 0.9094
260 9R5 0.9094
261 EYV 0.9094
262 4V2 0.9091
263 S0E 0.9091
264 49P 0.9090
265 M78 0.9089
266 FF2 0.9088
267 K7H 0.9085
268 DHC 0.9085
269 6C9 0.9084
270 A7H 0.9083
271 6HO 0.9083
272 CBE 0.9082
273 SNV 0.9081
274 BVA 0.9080
275 HC4 0.9078
276 14N 0.9078
277 2GQ 0.9078
278 CH9 0.9076
279 KF5 0.9076
280 AZM 0.9076
281 A98 0.9076
282 OJD 0.9075
283 FHC 0.9073
284 AHN 0.9072
285 0OK 0.9072
286 EQA 0.9072
287 RNO 0.9071
288 I3E 0.9071
289 VGS 0.9070
290 J38 0.9069
291 F4E 0.9068
292 DXK 0.9067
293 FYR 0.9066
294 1KN 0.9064
295 P81 0.9063
296 ARG 0.9061
297 NKI 0.9061
298 6ZX 0.9061
299 EN1 0.9060
300 1FE 0.9057
301 OA1 0.9056
302 DRG 0.9054
303 4Z9 0.9054
304 KTJ 0.9052
305 6N4 0.9052
306 IQ5 0.9050
307 S0A 0.9049
308 CWJ 0.9049
309 ANF 0.9048
310 6QF 0.9046
311 MMJ 0.9040
312 GOE 0.9040
313 5LA 0.9039
314 LQ2 0.9038
315 K80 0.9037
316 4FP 0.9036
317 2QU 0.9036
318 72D 0.9034
319 9CE 0.9033
320 M5H 0.9033
321 1ZC 0.9032
322 RVE 0.9032
323 1VK 0.9031
324 27K 0.9031
325 VFG 0.9031
326 YIP 0.9029
327 4NB 0.9028
328 N9J 0.9027
329 1A7 0.9027
330 K97 0.9027
331 1HN 0.9027
332 ZEC 0.9023
333 90G 0.9021
334 5GT 0.9020
335 4GU 0.9019
336 1F1 0.9019
337 3QV 0.9018
338 5AD 0.9018
339 MR4 0.9017
340 12T 0.9017
341 RGK 0.9016
342 VBC 0.9015
343 JF5 0.9014
344 SKF 0.9012
345 D8Q 0.9011
346 4LV 0.9007
347 P4T 0.9006
348 SOJ 0.9006
349 2K8 0.9005
350 1HP 0.9002
351 NFZ 0.9001
352 IOP 0.9000
353 1Z6 0.9000
354 GB5 0.9000
355 EAT 0.8999
356 S8G 0.8998
357 JGB 0.8998
358 P4L 0.8998
359 344 0.8997
360 HHS 0.8997
361 6L6 0.8996
362 4CN 0.8992
363 BNL 0.8992
364 1L5 0.8991
365 9ZE 0.8991
366 AA 0.8990
367 WLH 0.8988
368 TB8 0.8987
369 5O6 0.8986
370 7N8 0.8986
371 GJP 0.8985
372 CXH 0.8985
373 LJ3 0.8985
374 4RU 0.8984
375 KWB 0.8984
376 THA 0.8980
377 N0Z 0.8979
378 HNL 0.8978
379 KDV 0.8976
380 245 0.8976
381 PPN 0.8975
382 IDZ 0.8974
383 68A 0.8974
384 D26 0.8972
385 3D8 0.8970
386 TIA 0.8969
387 613 0.8969
388 GT4 0.8968
389 MR5 0.8967
390 4XF 0.8965
391 A73 0.8963
392 8NB 0.8962
393 ZSP 0.8961
394 GF4 0.8961
395 9CA 0.8960
396 BBY 0.8959
397 ZTW 0.8959
398 NAL 0.8957
399 RYV 0.8957
400 CUQ 0.8955
401 LGT 0.8954
402 9BF 0.8953
403 BGU 0.8953
404 15N 0.8951
405 U7E 0.8949
406 S60 0.8948
407 SQV 0.8948
408 LUM 0.8948
409 ENW 0.8946
410 G2V 0.8946
411 ANN 0.8946
412 7ZL 0.8946
413 1V1 0.8945
414 ESP 0.8944
415 XIZ 0.8944
416 AOY 0.8943
417 8XL 0.8943
418 3XH 0.8943
419 CC5 0.8942
420 N9M 0.8941
421 ALE 0.8941
422 JSX 0.8939
423 4BZ 0.8938
424 TOH 0.8937
425 F02 0.8936
426 KWV 0.8933
427 X2M 0.8932
428 R20 0.8931
429 5WK 0.8931
430 PBN 0.8931
431 MJW 0.8930
432 26C 0.8929
433 1IT 0.8929
434 ICB 0.8929
435 JP2 0.8927
436 4ZF 0.8924
437 E7S 0.8922
438 SSC 0.8922
439 DTY 0.8922
440 PH3 0.8921
441 1DR 0.8921
442 BQ2 0.8920
443 52F 0.8916
444 27B 0.8915
445 MPV 0.8911
446 272 0.8910
447 LR5 0.8910
448 YZ9 0.8908
449 ZRL 0.8907
450 FER 0.8906
451 3DE 0.8905
452 7KE 0.8905
453 P80 0.8904
454 3AE 0.8904
455 8ZE 0.8904
456 8YH 0.8901
457 9FL 0.8900
458 ZYQ 0.8900
459 CK1 0.8900
460 TCA 0.8899
461 0BP 0.8899
462 Q0K 0.8899
463 TT4 0.8898
464 NAG 0.8897
465 Q9T 0.8897
466 1AJ 0.8897
467 HH6 0.8897
468 20D 0.8897
469 JDN 0.8895
470 FBF 0.8895
471 TYL 0.8895
472 OOG 0.8893
473 BZ2 0.8893
474 S98 0.8892
475 56D 0.8892
476 BSU 0.8892
477 BX4 0.8891
478 3IL 0.8891
479 JB8 0.8890
480 HNK 0.8889
481 N2M 0.8886
482 DFL 0.8886
483 LIG 0.8885
484 ATX 0.8883
485 J6W 0.8882
486 BL0 0.8882
487 PNZ 0.8881
488 5SJ 0.8881
489 P9E 0.8880
490 5NN 0.8880
491 60L 0.8877
492 428 0.8877
493 1OS 0.8877
494 4Z3 0.8876
495 2WU 0.8873
496 8HC 0.8873
497 28B 0.8872
498 3F4 0.8872
499 SZ5 0.8872
500 15E 0.8872
501 WV7 0.8870
502 IOS 0.8868
503 5V7 0.8866
504 3CX 0.8866
505 25F 0.8866
506 EVF 0.8866
507 0FK 0.8866
508 5DS 0.8864
509 BSA 0.8864
510 KTW 0.8863
511 7G2 0.8862
512 JX7 0.8860
513 4FE 0.8860
514 0F3 0.8856
515 DDU 0.8855
516 IS2 0.8855
517 PTB 0.8855
518 ESI 0.8854
519 DAH 0.8854
520 PFF 0.8853
521 JVD 0.8853
522 0NJ 0.8852
523 HBI 0.8850
524 7FZ 0.8850
525 1OT 0.8850
526 2F6 0.8849
527 HJ7 0.8849
528 SX2 0.8849
529 0HN 0.8849
530 C0W 0.8849
531 4YZ 0.8849
532 92O 0.8847
533 E9S 0.8846
534 HA5 0.8846
535 6J5 0.8846
536 Z21 0.8846
537 GJG 0.8845
538 3D3 0.8845
539 VUP 0.8845
540 H4B 0.8845
541 NE2 0.8843
542 KCH 0.8843
543 NY4 0.8840
544 4UM 0.8840
545 4NZ 0.8840
546 6TZ 0.8839
547 1V3 0.8836
548 SSY 0.8834
549 3D1 0.8832
550 IIH 0.8830
551 STX 0.8828
552 PJW 0.8827
553 JGY 0.8827
554 E5X 0.8826
555 CKA 0.8826
556 3J8 0.8825
557 5DL 0.8822
558 61M 0.8820
559 3SU 0.8820
560 EES 0.8819
561 TXW 0.8819
562 JA5 0.8818
563 2HC 0.8818
564 3H2 0.8815
565 5OR 0.8815
566 4Z1 0.8814
567 JAW 0.8813
568 JWS 0.8812
569 HBO 0.8810
570 848 0.8809
571 HQJ 0.8809
572 5S9 0.8807
573 N2I 0.8807
574 7G0 0.8806
575 CSN 0.8805
576 S62 0.8805
577 PQV 0.8803
578 K3D 0.8802
579 5OO 0.8802
580 GGB 0.8799
581 MUK 0.8798
582 D1Y 0.8798
583 Q04 0.8797
584 GHQ 0.8796
585 CNI 0.8794
586 1HR 0.8793
587 AM4 0.8793
588 XRS 0.8793
589 HCI 0.8790
590 FBC 0.8789
591 2QV 0.8789
592 FDR 0.8788
593 GVA 0.8787
594 CIR 0.8787
595 3W8 0.8787
596 8NX 0.8785
597 3A9 0.8785
598 6NT 0.8785
599 1V4 0.8785
600 HSA 0.8784
601 GNM 0.8784
602 K0G 0.8782
603 CX6 0.8782
604 PEY 0.8781
605 V2Z 0.8780
606 DT7 0.8779
607 39Z 0.8777
608 PO6 0.8777
609 IAC 0.8776
610 SYE 0.8775
611 2ZM 0.8774
612 2HU 0.8774
613 0HO 0.8772
614 IQZ 0.8772
615 HPP 0.8770
616 2LW 0.8770
617 Z70 0.8769
618 4TB 0.8767
619 5NI 0.8765
620 3IP 0.8763
621 IBP 0.8763
622 6FR 0.8763
623 3XR 0.8762
624 XYP XIF 0.8761
625 6NI 0.8761
626 AD6 0.8760
627 LTN 0.8758
628 EZL 0.8757
629 S7J 0.8757
630 L5V 0.8755
631 NIY 0.8753
632 5WN 0.8752
633 4CM 0.8752
634 H35 0.8752
635 XIF XYP 0.8748
636 DE5 0.8748
637 S7S 0.8748
638 MXD 0.8747
639 TYC 0.8746
640 PHE 0.8746
641 4AF 0.8745
642 BIO 0.8745
643 RCV 0.8744
644 1Q1 0.8742
645 6FZ 0.8742
646 CHQ 0.8741
647 0XR 0.8741
648 30G 0.8740
649 CS2 0.8739
650 AP6 0.8737
651 DZA 0.8737
652 5RP 0.8737
653 2UZ 0.8733
654 PH2 0.8732
655 38E 0.8732
656 ZEA 0.8731
657 GB4 0.8731
658 L14 0.8731
659 FT6 0.8730
660 ABI 0.8729
661 DX2 0.8729
662 CFA 0.8728
663 R2P 0.8728
664 DAR 0.8728
665 5WT 0.8728
666 PLP 0.8725
667 KYA 0.8723
668 H5B 0.8723
669 S7D 0.8723
670 EAE 0.8721
671 NPX 0.8721
672 LFN 0.8721
673 NRA 0.8721
674 6Q3 0.8720
675 HIC 0.8720
676 GNW 0.8719
677 LVD 0.8716
678 KDG 0.8715
679 M3E 0.8714
680 A29 0.8712
681 SJK 0.8712
682 A6Z 0.8711
683 C0H 0.8711
684 HXY 0.8709
685 9FE 0.8709
686 TPM 0.8708
687 5LD 0.8708
688 JG8 0.8707
689 KLV 0.8707
690 U14 0.8706
691 1M2 0.8697
692 GNV 0.8696
693 3NY 0.8696
694 G1L 0.8695
695 FY8 0.8695
696 0TU 0.8694
697 DTR 0.8693
698 GAE 0.8692
699 MAJ 0.8691
700 AJY 0.8690
701 2UD 0.8689
702 VFJ 0.8688
703 X11 0.8687
704 88L 0.8686
705 LI7 0.8685
706 XDL XYP 0.8685
707 XDN XYP 0.8685
708 XYP XDN 0.8685
709 5XC 0.8684
710 TZP 0.8684
711 Q06 0.8683
712 B56 0.8682
713 2JK 0.8681
714 A8D 0.8680
715 XIL 0.8678
716 LLH 0.8678
717 96Z 0.8677
718 W8L 0.8675
719 HL6 0.8675
720 IPO 0.8675
721 MMS 0.8675
722 TIZ 0.8674
723 RGP 0.8671
724 GJK 0.8671
725 SQ4 0.8670
726 S0W 0.8670
727 2BG 0.8668
728 EGV 0.8668
729 18E 0.8667
730 4YO 0.8667
731 CDJ 0.8665
732 6ZW 0.8665
733 OW7 0.8665
734 92P 0.8662
735 7UZ 0.8661
736 36E 0.8660
737 M3L 0.8660
738 MQN 0.8659
739 3GX 0.8658
740 A7N 0.8655
741 KW8 0.8655
742 NFA 0.8654
743 LPA 0.8653
744 RBV 0.8652
745 BMZ 0.8652
746 TYE 0.8650
747 1YO 0.8647
748 4JQ 0.8647
749 H2W 0.8647
750 PML 0.8646
751 API 0.8645
752 4WL 0.8641
753 4JC 0.8640
754 4AB 0.8639
755 22T 0.8639
756 9KZ 0.8639
757 ZIP 0.8638
758 RF2 0.8637
759 HJH 0.8635
760 0F9 0.8635
761 M4E 0.8635
762 26P 0.8634
763 8WO 0.8634
764 R52 0.8633
765 N7I 0.8633
766 DNA 0.8629
767 EUH 0.8628
768 801 0.8627
769 XIY 0.8623
770 M1T 0.8621
771 HRG 0.8616
772 14W 0.8616
773 3W6 0.8615
774 120 0.8615
775 78U 0.8614
776 HIS 0.8612
777 CTE 0.8612
778 K82 0.8611
779 259 0.8610
780 2O6 0.8609
781 HHR 0.8609
782 PIY 0.8609
783 THU 0.8608
784 DX7 0.8607
785 A05 0.8605
786 3W3 0.8603
787 5ER 0.8600
788 PA5 0.8597
789 STV 0.8593
790 ZYR 0.8593
791 7R4 0.8591
792 DVQ 0.8591
793 DEZ 0.8590
794 P7Y 0.8587
795 WDW 0.8586
796 RES 0.8583
797 E1K 0.8580
798 LJ5 0.8572
799 HRD 0.8571
800 E9L 0.8570
801 M45 0.8569
802 NIF 0.8565
803 T2D 0.8562
804 ZZU 0.8553
805 6CL 0.8553
806 3S9 0.8551
807 BC5 0.8547
808 E0O 0.8544
809 R5P 0.8537
810 UKV 0.8531
811 F16 0.8527
812 MS9 0.8521
813 QR2 0.8515
814 NEU 0.8513
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5KGS; Ligand: 6SR; Similar sites found with APoc: 9
This union binding pocket(no: 1) in the query (biounit: 5kgs.bio1) has 44 residues
No: Leader PDB Ligand Sequence Similarity
1 4ZSY RW2 24.9453
2 4ZM4 PLP 27.1335
3 4ZM4 PLP 27.1335
4 4UOX PLP 35.2298
5 4UOX PLP 35.2298
6 4UOX PUT 35.2298
7 4ADC PLP 35.7143
8 3A8U PLP 47.216
9 3A8U PLP 47.216
Pocket No.: 2; Query (leader) PDB : 5KGS; Ligand: 6SR; Similar sites found with APoc: 8
This union binding pocket(no: 2) in the query (biounit: 5kgs.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
1 4ZSY RW2 24.9453
2 4ZM4 PLP 27.1335
3 4ZM4 PLP 27.1335
4 4UOX PLP 35.2298
5 4UOX PLP 35.2298
6 4UOX PUT 35.2298
7 3A8U PLP 47.216
8 3A8U PLP 47.216
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