Receptor
PDB id Resolution Class Description Source Keywords
4WYF 2.25 Å EC: 2.6.1.62 CRYSTAL STRUCTURE OF 7,8-DIAMINOPELARGONIC ACID SYNTHASE (BI MYCOBACTERIUM TUBERCULOSIS, COMPLEXED WITH A DSF FRAGMENT H MYCOBACTERIUM TUBERCULOSIS 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:501;
A:502;
Invalid;
Invalid;
none;
none;
submit data
247.142 C8 H10 N O6 P Cc1c(...
3VX A:501;
Valid;
none;
Kd = 21.7 uM
187.195 C11 H9 N O2 CC(=O...
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: 3VX; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 3VX 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 3VX; Similar ligands found: 895
No: Ligand Similarity coefficient
1 N91 0.9958
2 GO2 0.9771
3 ZHA 0.9686
4 Y3L 0.9677
5 2FX 0.9624
6 MD6 0.9620
7 XCG 0.9606
8 QIV 0.9604
9 B41 0.9603
10 2K8 0.9580
11 TMG 0.9559
12 8NB 0.9557
13 X0U 0.9546
14 E1T 0.9541
15 ARP 0.9517
16 0JD 0.9498
17 4BL 0.9494
18 363 0.9494
19 APS 0.9480
20 9R5 0.9478
21 SNO 0.9475
22 HHS 0.9455
23 AAN 0.9453
24 M5H 0.9452
25 ZRK 0.9448
26 6KT 0.9446
27 15N 0.9445
28 3VS 0.9442
29 6FB 0.9442
30 GO8 0.9433
31 M78 0.9430
32 P80 0.9429
33 ITE 0.9424
34 9ZE 0.9423
35 3VQ 0.9421
36 4XF 0.9420
37 BQ2 0.9414
38 HA5 0.9414
39 ZSP 0.9412
40 4NS 0.9410
41 S0D 0.9409
42 FZM 0.9400
43 4BY 0.9395
44 5TY 0.9394
45 DRG 0.9392
46 VC3 0.9391
47 0FK 0.9390
48 G14 0.9386
49 428 0.9384
50 RNO 0.9384
51 S60 0.9379
52 8HC 0.9379
53 4NP 0.9377
54 SYE 0.9375
55 FQX 0.9375
56 AN3 0.9372
57 SKF 0.9368
58 KMY 0.9367
59 TSR 0.9355
60 BZ2 0.9352
61 E7S 0.9351
62 LL1 0.9346
63 6QF 0.9345
64 NAG 0.9345
65 ICB 0.9340
66 9NB 0.9340
67 KYA 0.9340
68 3ZB 0.9330
69 X48 0.9325
70 JCZ 0.9324
71 ESX 0.9324
72 H4B 0.9324
73 0SY 0.9323
74 BGU 0.9316
75 IOP 0.9316
76 1F1 0.9314
77 J6W 0.9310
78 EYV 0.9310
79 PNP 0.9307
80 BPY 0.9307
81 ZYR 0.9307
82 N2I 0.9304
83 GNM 0.9301
84 FER 0.9301
85 UNJ 0.9301
86 N1E 0.9300
87 KDV 0.9298
88 AZM 0.9294
89 30G 0.9293
90 ZON 0.9292
91 ANC 0.9290
92 JB8 0.9289
93 ZZA 0.9288
94 K97 0.9287
95 L22 0.9286
96 BP7 0.9285
97 LQ2 0.9283
98 BZJ 0.9281
99 GJP 0.9280
100 8ZE 0.9279
101 NOK 0.9277
102 6NT 0.9275
103 QME 0.9274
104 TSS 0.9274
105 BIO 0.9273
106 N2M 0.9272
107 AMR 0.9270
108 B56 0.9268
109 TCR 0.9268
110 7O4 0.9267
111 AJG 0.9264
112 FF2 0.9264
113 F4E 0.9262
114 0HN 0.9262
115 2GQ 0.9261
116 A7H 0.9259
117 CTE 0.9258
118 92P 0.9257
119 344 0.9257
120 4MB 0.9255
121 657 0.9254
122 ESP 0.9254
123 PRL 0.9251
124 JAW 0.9251
125 ZEC 0.9249
126 R9Y 0.9247
127 4I8 0.9244
128 SJK 0.9243
129 4NB 0.9243
130 THA 0.9243
131 27B 0.9238
132 HBI 0.9238
133 12T 0.9238
134 V1T 0.9237
135 2ZM 0.9237
136 XI7 0.9234
137 PPY 0.9232
138 8XL 0.9231
139 JP2 0.9231
140 H2B 0.9230
141 7MW 0.9229
142 9FE 0.9228
143 2HC 0.9225
144 N7I 0.9225
145 SLS 0.9222
146 VXX 0.9219
147 IAC 0.9219
148 HRM 0.9219
149 6FZ 0.9218
150 M4E 0.9217
151 CH9 0.9217
152 DHC 0.9216
153 AES 0.9215
154 LR8 0.9214
155 IOS 0.9212
156 4FF 0.9210
157 K4V 0.9206
158 HHR 0.9206
159 ANF 0.9202
160 4KL 0.9201
161 0HO 0.9201
162 2HU 0.9201
163 TRP 0.9197
164 ALE 0.9197
165 1HN 0.9197
166 DEW 0.9196
167 3QV 0.9196
168 AA 0.9194
169 4AB 0.9190
170 PH2 0.9190
171 3R4 0.9187
172 ODK 0.9186
173 BL0 0.9183
174 1VK 0.9182
175 PLP 0.9182
176 2P3 0.9182
177 LVD 0.9182
178 EUH 0.9180
179 ZYQ 0.9179
180 BHS 0.9179
181 5LA 0.9179
182 GOE 0.9176
183 KLS 0.9175
184 S0E 0.9173
185 NFM 0.9172
186 5NI 0.9172
187 TCA 0.9171
188 JDN 0.9171
189 54X 0.9170
190 HC4 0.9168
191 CXH 0.9167
192 D8Q 0.9166
193 N0Z 0.9166
194 4FE 0.9165
195 CHQ 0.9164
196 3XR 0.9164
197 6NI 0.9163
198 I2E 0.9161
199 HNT 0.9161
200 9UL 0.9161
201 MXD 0.9160
202 8NX 0.9158
203 MAJ 0.9157
204 LDP 0.9156
205 EVF 0.9155
206 9BF 0.9151
207 68A 0.9151
208 7MX 0.9151
209 FYR 0.9150
210 ESI 0.9149
211 PNZ 0.9145
212 61M 0.9140
213 2QC 0.9140
214 MSR 0.9139
215 PEY 0.9139
216 CKA 0.9138
217 BZE 0.9137
218 4LW 0.9135
219 W81 0.9135
220 DAH 0.9133
221 EN1 0.9133
222 JG8 0.9131
223 3A9 0.9130
224 FBF 0.9129
225 JBZ 0.9127
226 5XC 0.9127
227 KF5 0.9124
228 YE7 0.9123
229 4RU 0.9121
230 EV2 0.9121
231 A5P 0.9121
232 3J8 0.9120
233 KTW 0.9120
234 KLV 0.9117
235 CIY 0.9116
236 E3X 0.9116
237 9CA 0.9115
238 PO6 0.9114
239 3NY 0.9112
240 1QP 0.9111
241 0FR 0.9111
242 M6Z 0.9110
243 F5C 0.9109
244 MUK 0.9106
245 RSV 0.9106
246 VM1 0.9105
247 EYJ 0.9105
248 DNA 0.9104
249 6N4 0.9103
250 QBP 0.9102
251 RKV 0.9101
252 2JX 0.9097
253 3D3 0.9096
254 NEO 0.9095
255 4BX 0.9095
256 MP5 0.9094
257 AJ1 0.9094
258 5GV 0.9092
259 15E 0.9090
260 PIQ 0.9090
261 N8Y 0.9088
262 ANN 0.9088
263 549 0.9088
264 4LV 0.9086
265 EUE 0.9086
266 1IT 0.9084
267 1FE 0.9083
268 8U3 0.9083
269 NDG 0.9078
270 7AP 0.9078
271 CK2 0.9078
272 OQC 0.9078
273 JAH 0.9077
274 H7Y 0.9077
275 8W9 0.9076
276 YE6 0.9076
277 5E5 0.9075
278 3N1 0.9074
279 6Q3 0.9074
280 7EH 0.9073
281 AM4 0.9071
282 259 0.9070
283 3AE 0.9068
284 4CM 0.9067
285 0OK 0.9067
286 F02 0.9065
287 G6P 0.9065
288 P81 0.9065
289 4CN 0.9063
290 4AU 0.9062
291 DTR 0.9061
292 K7H 0.9061
293 2WU 0.9060
294 GVY 0.9059
295 B4O 0.9059
296 833 0.9059
297 4HB 0.9058
298 PMP 0.9058
299 C53 0.9057
300 F40 0.9057
301 4WL 0.9056
302 MPV 0.9056
303 S98 0.9056
304 MUX 0.9056
305 HBO 0.9055
306 5GT 0.9054
307 3XH 0.9054
308 6MW 0.9053
309 GZ2 0.9052
310 4V2 0.9052
311 AOT 0.9051
312 XIZ 0.9051
313 L14 0.9048
314 EWG 0.9047
315 PJW 0.9045
316 9FL 0.9045
317 LUM 0.9043
318 ST3 0.9041
319 0UL 0.9041
320 4NZ 0.9040
321 A7N 0.9038
322 I3E 0.9038
323 XDK 0.9037
324 EE8 0.9036
325 8D6 0.9034
326 GDL 0.9034
327 FDR 0.9034
328 N4E 0.9033
329 ABI 0.9031
330 CNI 0.9030
331 A5E 0.9029
332 78Y 0.9029
333 6HP 0.9028
334 K82 0.9028
335 CWJ 0.9027
336 2O6 0.9026
337 1ZC 0.9026
338 5OB 0.9025
339 LR5 0.9024
340 DXK 0.9024
341 TYL 0.9022
342 94W 0.9021
343 LNR 0.9020
344 BDI 0.9019
345 5DL 0.9018
346 47V 0.9018
347 A6W 0.9017
348 YTX 0.9017
349 MFZ 0.9016
350 GF4 0.9016
351 36E 0.9016
352 5B2 0.9013
353 F4K 0.9013
354 SRO 0.9012
355 BIK 0.9012
356 1A7 0.9011
357 1DR 0.9011
358 QMS 0.9010
359 OLU 0.9010
360 E5X 0.9009
361 ZRL 0.9009
362 2D2 0.9008
363 JF1 0.9007
364 F2W 0.9006
365 KTJ 0.9006
366 3C4 0.9005
367 TYR 0.9005
368 1M2 0.9003
369 CPZ 0.9003
370 6L6 0.9002
371 5VU 0.9001
372 C2Y 0.9001
373 0W1 0.9001
374 88L 0.8999
375 2BG 0.8999
376 BZ3 0.8999
377 FHV 0.8996
378 4R1 0.8996
379 H4E 0.8996
380 XIY 0.8994
381 H5B 0.8993
382 EXD 0.8992
383 TZF 0.8992
384 7FU 0.8991
385 2JK 0.8990
386 X0W 0.8990
387 SNU 0.8989
388 ENO 0.8988
389 PLP PMP 0.8988
390 6RQ 0.8987
391 AMH 0.8986
392 9FH 0.8986
393 PUE 0.8981
394 A5Q 0.8978
395 6TZ 0.8978
396 3Y7 0.8975
397 J38 0.8975
398 MQN 0.8974
399 2J1 0.8973
400 YOF 0.8972
401 HX4 0.8972
402 BA5 0.8971
403 1L5 0.8970
404 YZM 0.8970
405 PRF 0.8969
406 QBM 0.8969
407 BPN 0.8969
408 EQA 0.8968
409 5OO 0.8968
410 F9Y 0.8967
411 E1K 0.8967
412 2LY 0.8966
413 5SJ 0.8966
414 FHC 0.8965
415 ZIP 0.8964
416 42J 0.8963
417 Z13 0.8963
418 C82 0.8963
419 0F9 0.8963
420 5F5 0.8961
421 STT 0.8961
422 4NM 0.8959
423 3W8 0.8959
424 NAL 0.8958
425 0TU 0.8958
426 CFA 0.8957
427 JF2 0.8957
428 HJ7 0.8955
429 5F8 0.8955
430 8MO 0.8955
431 AC2 0.8954
432 SG2 0.8954
433 6ZW 0.8954
434 R20 0.8953
435 5WN 0.8953
436 22L 0.8951
437 GJK 0.8951
438 8WT 0.8951
439 MR6 0.8950
440 FCD 0.8947
441 1AJ 0.8947
442 LJ3 0.8946
443 2PK 0.8946
444 4Z9 0.8945
445 PLR 0.8945
446 PH3 0.8945
447 B1J 0.8944
448 LSQ 0.8944
449 A5H 0.8943
450 GZV 0.8943
451 DK1 0.8943
452 7I2 0.8943
453 C9M 0.8942
454 6P3 0.8937
455 BG6 0.8937
456 2PV 0.8936
457 5TZ 0.8936
458 0NX 0.8934
459 PXP 0.8933
460 J9Q 0.8932
461 MPP 0.8932
462 5RP 0.8932
463 ZYX 0.8931
464 AEH 0.8930
465 36M 0.8928
466 0BP 0.8928
467 TJM 0.8927
468 OOG 0.8925
469 4JQ 0.8923
470 TOH 0.8923
471 YIP 0.8922
472 JMG 0.8921
473 2O8 0.8920
474 NIY 0.8920
475 795 0.8920
476 RCV 0.8919
477 DPT 0.8918
478 K25 0.8917
479 80G 0.8916
480 NRA 0.8915
481 5WT 0.8915
482 HNL 0.8915
483 A2G 0.8915
484 OW7 0.8914
485 IWT 0.8913
486 JND 0.8912
487 92O 0.8912
488 TID 0.8912
489 2UD 0.8910
490 27K 0.8909
491 92G 0.8907
492 HPP 0.8907
493 4ZA 0.8906
494 D3G 0.8906
495 S7J 0.8905
496 BPU 0.8904
497 YZ9 0.8904
498 BNL 0.8904
499 S7S 0.8904
500 CG 0.8903
501 2LT 0.8903
502 B21 0.8902
503 3D8 0.8901
504 ZME 0.8901
505 0DF 0.8900
506 4TU 0.8900
507 RYV 0.8899
508 1QV 0.8899
509 A6P 0.8899
510 HSX 0.8899
511 C4E 0.8897
512 WV7 0.8897
513 6C5 0.8896
514 MZM 0.8895
515 EQW 0.8894
516 AP6 0.8893
517 A29 0.8893
518 5O6 0.8893
519 4JE 0.8891
520 KYN 0.8891
521 N9J 0.8891
522 268 0.8891
523 QX4 0.8889
524 4YO 0.8889
525 MR1 0.8889
526 6VD 0.8888
527 NDD 0.8886
528 TXW 0.8885
529 AEG 0.8882
530 3W6 0.8882
531 3W3 0.8882
532 TYE 0.8882
533 JYT 0.8880
534 GB4 0.8880
535 JLZ 0.8880
536 P7Y 0.8879
537 3SU 0.8878
538 FCW 0.8878
539 PZP 0.8878
540 UFO 0.8877
541 RA7 0.8876
542 C9E 0.8875
543 5TT 0.8875
544 1PS 0.8874
545 8WO 0.8874
546 9CE 0.8873
547 97T 0.8872
548 BGP 0.8871
549 IBP 0.8871
550 TT4 0.8870
551 0F3 0.8868
552 AJY 0.8867
553 II4 0.8866
554 F31 0.8865
555 WS7 0.8865
556 4G2 0.8864
557 L03 0.8864
558 GB5 0.8864
559 3VW 0.8864
560 PHE 0.8863
561 5H6 0.8863
562 LZ5 0.8861
563 NGA 0.8861
564 1Z6 0.8860
565 MS9 0.8860
566 DHB 0.8859
567 14W 0.8858
568 FBB 0.8857
569 W29 0.8854
570 56D 0.8854
571 DQU 0.8854
572 INO 0.8852
573 1EB 0.8852
574 9KZ 0.8852
575 IL5 0.8850
576 HQJ 0.8849
577 JTA 0.8849
578 R2P 0.8848
579 P4L 0.8848
580 LEL 0.8847
581 JA5 0.8847
582 AVX 0.8846
583 4P5 0.8846
584 22T 0.8845
585 2BX 0.8844
586 52F 0.8844
587 DNQ 0.8844
588 2HQ 0.8843
589 AY4 0.8842
590 36Y 0.8841
591 SWX 0.8840
592 HCI 0.8840
593 2FQ 0.8839
594 GNV 0.8839
595 6ME 0.8836
596 78U 0.8835
597 VUP 0.8834
598 DPN 0.8833
599 L1O 0.8833
600 D9Z 0.8832
601 NNO 0.8832
602 DTY 0.8828
603 5ER 0.8827
604 MIL 0.8825
605 9JT 0.8825
606 S0W 0.8825
607 TYC 0.8825
608 MPK 0.8825
609 PBN 0.8825
610 4GU 0.8824
611 FUD 0.8823
612 M1Z 0.8823
613 J1K 0.8823
614 7PJ 0.8822
615 5OR 0.8822
616 UA5 0.8821
617 3R6 0.8820
618 TGX 0.8819
619 6FG 0.8819
620 5RO 0.8817
621 VFG 0.8817
622 Z21 0.8814
623 PFF 0.8813
624 CC5 0.8812
625 HL4 0.8812
626 AH9 0.8812
627 ALX 0.8811
628 DT7 0.8810
629 5AD 0.8809
630 HRD 0.8809
631 6H2 0.8809
632 LGT 0.8808
633 1BW 0.8808
634 NPA 0.8808
635 DHY 0.8807
636 4AF 0.8806
637 NFA 0.8802
638 TLG 0.8801
639 OHJ 0.8800
640 OTR 0.8800
641 ONR 0.8799
642 6SD 0.8799
643 PBA 0.8799
644 5WS 0.8799
645 M6P 0.8798
646 SSC 0.8797
647 KP2 0.8797
648 50C 0.8796
649 0FN 0.8794
650 6ZX 0.8794
651 D2G 0.8793
652 MMS 0.8793
653 KJU 0.8792
654 0FO 0.8792
655 YRL 0.8790
656 4ME 0.8790
657 L5V 0.8789
658 YPN 0.8788
659 537 0.8787
660 DVQ 0.8785
661 RVE 0.8785
662 FWD 0.8783
663 6J5 0.8782
664 FMQ 0.8782
665 GC2 0.8782
666 AHN 0.8781
667 LTN 0.8779
668 D48 0.8778
669 NYL 0.8777
670 5GU 0.8777
671 JY2 0.8776
672 GLP 0.8776
673 P9E 0.8775
674 A98 0.8774
675 535 0.8773
676 RGK 0.8771
677 OTW 0.8770
678 BNX 0.8770
679 JXK 0.8770
680 LOT 0.8768
681 NBG 0.8766
682 ABF 0.8764
683 26C 0.8764
684 3PF 0.8764
685 1KP 0.8762
686 IYR 0.8762
687 K2T 0.8761
688 N3W 0.8760
689 AJV 0.8760
690 X04 0.8759
691 M4S 0.8759
692 ODO 0.8759
693 44W 0.8758
694 5FL 0.8758
695 LO1 0.8758
696 86L 0.8757
697 X0T 0.8757
698 6C4 0.8755
699 52C 0.8755
700 AX3 0.8753
701 E9S 0.8753
702 7VP 0.8752
703 4FP 0.8751
704 7L4 0.8751
705 KLE 0.8750
706 4FA 0.8750
707 S8G 0.8750
708 JGB 0.8749
709 RP3 0.8749
710 D6G 0.8749
711 GWM 0.8748
712 BVA 0.8748
713 2FY 0.8745
714 HIS 0.8743
715 CSN 0.8743
716 LR2 0.8742
717 TR4 0.8741
718 GZL 0.8740
719 DHR 0.8740
720 209 0.8738
721 Y0V 0.8737
722 68B 0.8736
723 DEZ 0.8736
724 ARG 0.8735
725 0LO 0.8735
726 LFN 0.8734
727 258 0.8733
728 2QU 0.8732
729 5TO 0.8732
730 HFA 0.8732
731 6DQ 0.8732
732 K3Q 0.8729
733 5QY 0.8729
734 SN4 0.8728
735 TZM 0.8726
736 3D1 0.8725
737 WLH 0.8724
738 CX6 0.8724
739 TZP 0.8721
740 2HO 0.8720
741 MVN 0.8719
742 HHI 0.8719
743 ZEA 0.8718
744 5LD 0.8717
745 S8A 0.8717
746 DBS 0.8716
747 BBY 0.8716
748 PIM 0.8715
749 505 0.8714
750 SOR 0.8714
751 PRA 0.8711
752 VGD 0.8710
753 IPD 0.8710
754 S7D 0.8709
755 UAN 0.8707
756 JXW 0.8706
757 4JC 0.8702
758 DE5 0.8702
759 11X 0.8702
760 J9T 0.8700
761 DDU 0.8697
762 EMZ 0.8696
763 HNH 0.8695
764 OA1 0.8695
765 86J 0.8693
766 55D 0.8692
767 SYV 0.8692
768 L15 0.8690
769 L1T 0.8690
770 CWD 0.8688
771 PQ0 0.8686
772 492 0.8685
773 HPT 0.8685
774 X11 0.8684
775 ET0 0.8679
776 54E 0.8678
777 TU0 0.8677
778 ES2 0.8677
779 28S 0.8676
780 5VM 0.8675
781 PIY 0.8675
782 TWO 0.8675
783 U13 0.8674
784 1XS 0.8672
785 7ZL 0.8672
786 JF8 0.8670
787 G3E 0.8670
788 BBK 0.8669
789 J9N 0.8668
790 7MU 0.8665
791 G1P 0.8665
792 28A 0.8664
793 J5I 0.8661
794 NVU 0.8661
795 25F 0.8661
796 KBZ 0.8659
797 SNG 0.8658
798 AOY 0.8658
799 6HO 0.8657
800 8YH 0.8656
801 LOG 0.8653
802 SB7 0.8653
803 8Y7 0.8652
804 YI6 0.8652
805 NFZ 0.8651
806 JRB 0.8651
807 ENW 0.8651
808 ZIQ 0.8650
809 SE2 0.8650
810 A51 0.8649
811 QMR 0.8648
812 BY5 0.8647
813 PQZ 0.8646
814 AEF 0.8645
815 C0W 0.8644
816 8CC 0.8643
817 NQH 0.8639
818 MR5 0.8639
819 EES 0.8638
820 V2Z 0.8636
821 GXD 0.8635
822 CLW 0.8634
823 BWD 0.8633
824 THM 0.8630
825 5P3 0.8629
826 KLK 0.8628
827 36R 0.8628
828 069 0.8628
829 HWD 0.8626
830 S0G 0.8625
831 GNY 0.8625
832 F1X 0.8622
833 TLM 0.8622
834 7ME 0.8621
835 B23 0.8620
836 717 0.8619
837 8TX 0.8619
838 URO 0.8619
839 HH6 0.8619
840 NY4 0.8617
841 8V8 0.8613
842 TIA 0.8613
843 Z82 0.8613
844 GI3 0.8611
845 ET2 0.8610
846 1P8 0.8610
847 EZL 0.8609
848 DEE 0.8609
849 3N0 0.8608
850 6DH 0.8605
851 8IG 0.8601
852 2QV 0.8601
853 FTV 0.8597
854 54Z 0.8597
855 H4B NO 0.8597
856 51Y 0.8594
857 0XR 0.8593
858 WS6 0.8590
859 6C9 0.8587
860 BNF 0.8584
861 ZTW 0.8583
862 BHQ 0.8582
863 URC 0.8580
864 2F6 0.8578
865 KW8 0.8575
866 IWD 0.8574
867 L46 0.8574
868 TL6 0.8573
869 E4P 0.8571
870 S7V 0.8570
871 H70 0.8569
872 4SX 0.8567
873 R4E 0.8566
874 NIF 0.8563
875 K37 0.8563
876 D1G 0.8561
877 Q9T 0.8560
878 7G0 0.8558
879 6E8 0.8556
880 3F4 0.8556
881 9H2 0.8555
882 SZ5 0.8554
883 1HP 0.8553
884 EV3 0.8551
885 I4D 0.8550
886 4UM 0.8548
887 GF1 0.8541
888 E3D 0.8541
889 JXT 0.8538
890 57D 0.8537
891 K44 0.8536
892 F18 0.8535
893 S62 0.8530
894 GT1 0.8523
895 2JM 0.8514
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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