Receptor
PDB id Resolution Class Description Source Keywords
5FLG 2.04 Å EC: 6.2.1.14 CRYSTAL STRUCTURE OF THE 6-CARBOXYHEXANOATE-COA LIGASE (BIOW BACILLUS SUBTILIS IN COMPLEX WITH AMPPNP BACILLUS SUBTILIS LIGASE
Ref.: USING THE PIMELOYL-COA SYNTHETASE ADENYLATION FOLD SYNTHESIZE FATTY ACID THIOESTERS. NAT. CHEM. BIOL. V. 13 660 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:704;
B:704;
B:703;
A:703;
 Part of Protein;
Part of Protein;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
24.305 Mg [Mg+2...
PML B:701;
A:701;
 Valid;
Valid;
 none;
none;
 submit data
160.168 C7 H12 O4 C(CCC...
ANP A:702;
B:702;
 Valid;
Valid;
 none;
none;
 submit data
506.196 C10 H17 N6 O12 P3 c1nc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5FM0 2.44 Å EC: 6.2.1.14 CRYSTAL STRUCTURE OF THE 6-CARBOXYHEXANOATE-COA LIGASE (BIOW BACILLUS SUBTILIS (PTCL4 DERIVATIVE) BACILLUS SUBTILIS LIGASE
Ref.: USING THE PIMELOYL-COA SYNTHETASE ADENYLATION FOLD SYNTHESIZE FATTY ACID THIOESTERS. NAT. CHEM. BIOL. V. 13 660 2017
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 5FLG - PML C7 H12 O4 C(CCC(=O)O....
2 5FM0 - WAQ C17 H24 N5 O10 P c1nc(c2c(n....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 5FLG - PML C7 H12 O4 C(CCC(=O)O....
2 5FM0 - WAQ C17 H24 N5 O10 P c1nc(c2c(n....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5TVA Kd = 14 uM COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
2 5FLG - PML C7 H12 O4 C(CCC(=O)O....
3 5FM0 - WAQ C17 H24 N5 O10 P c1nc(c2c(n....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: PML; Similar ligands found: 34
No: Ligand ECFP6 Tc MDL keys Tc
1 PML 1 1
2 AZ1 0.833333 0.95
3 0L1 0.764706 0.947368
4 SHV 0.681818 0.625
5 OCA 0.652174 0.6
6 11A 0.625 0.6
7 12H 0.625 0.73913
8 KNA 0.625 0.6
9 DCR 0.625 0.6
10 EW8 0.625 0.6
11 MYR 0.625 0.6
12 DAO 0.625 0.6
13 PLM 0.625 0.6
14 F23 0.625 0.6
15 TDA 0.625 0.6
16 STE 0.625 0.6
17 X90 0.625 0.6
18 DKA 0.625 0.6
19 F15 0.625 0.6
20 BRC 0.6 0.652174
21 SHO 0.590909 0.727273
22 GUA 0.578947 0.894737
23 KAP 0.551724 0.62069
24 KTC 0.5 0.653846
25 9J6 0.5 0.72
26 SIN 0.5 0.789474
27 NPI 0.482759 0.666667
28 MYZ 0.46875 0.6
29 OOG 0.423077 0.809524
30 ODD 0.416667 0.615385
31 IKT 0.416667 0.703704
32 CWL 0.416667 0.703704
33 11C 0.413793 0.62963
34 UN1 0.413793 0.62963
Ligand no: 2; Ligand: ANP; Similar ligands found: 429
No: Ligand ECFP6 Tc MDL keys Tc
1 ANP 1 1
2 A2D 0.810811 0.945205
3 ADP 0.802632 0.972222
4 AP5 0.802632 0.945205
5 B4P 0.802632 0.945205
6 BA3 0.789474 0.945205
7 AU1 0.782051 1
8 ATP 0.772152 0.972222
9 HEJ 0.772152 0.972222
10 AN2 0.769231 0.986111
11 AT4 0.769231 0.933333
12 AQP 0.7625 0.972222
13 5FA 0.7625 0.972222
14 M33 0.759494 0.932432
15 MAP 0.752941 0.972973
16 ACP 0.75 0.945946
17 APR 0.740741 0.945205
18 AR6 0.740741 0.945205
19 ACQ 0.73494 0.945946
20 AD9 0.731707 0.945946
21 AGS 0.731707 0.921053
22 KG4 0.728395 0.92
23 AMP 0.723684 0.944444
24 A 0.723684 0.944444
25 ATF 0.717647 0.933333
26 CA0 0.716049 0.92
27 ADX 0.716049 0.851852
28 6YZ 0.709302 0.945946
29 50T 0.707317 0.932432
30 PRX 0.698795 0.87013
31 ABM 0.696203 0.893333
32 45A 0.696203 0.893333
33 AMP MG 0.692308 0.90411
34 HQG 0.681818 0.958904
35 A12 0.679012 0.933333
36 AP2 0.679012 0.933333
37 APC 0.678571 0.933333
38 TAT 0.674419 0.933333
39 T99 0.674419 0.933333
40 A22 0.674157 0.958904
41 SRA 0.670886 0.894737
42 SRP 0.670455 0.883117
43 5AL 0.666667 0.906667
44 8LE 0.666667 0.871795
45 ADP BEF 0.662651 0.917808
46 ADP MG 0.662651 0.917808
47 ADQ 0.659341 0.92
48 A1R 0.659341 0.884615
49 A3R 0.659341 0.884615
50 QA7 0.655556 0.871795
51 JNT 0.652174 0.92
52 8LH 0.651685 0.883117
53 3OD 0.648936 0.92
54 BIS 0.648936 0.909091
55 5SV 0.648352 0.82716
56 V2G 0.647727 0.897436
57 9X8 0.645161 0.896104
58 OAD 0.645161 0.92
59 25L 0.642105 0.958904
60 AMO 0.641304 0.907895
61 ANP MG 0.640449 0.958904
62 8LQ 0.637363 0.883117
63 G5P 0.636364 0.897436
64 DLL 0.634409 0.906667
65 00A 0.634409 0.860759
66 AHX 0.634409 0.897436
67 RBY 0.632184 0.907895
68 ATP MG 0.632184 0.917808
69 APC MG 0.632184 0.893333
70 ADV 0.632184 0.907895
71 ADP PO3 0.632184 0.917808
72 NB8 0.631579 0.897436
73 OZV 0.630435 0.945205
74 8QN 0.630435 0.906667
75 OOB 0.630435 0.906667
76 25A 0.630435 0.945205
77 G3A 0.626263 0.897436
78 BEF ADP 0.625 0.893333
79 4AD 0.623656 0.896104
80 PAJ 0.623656 0.8625
81 LAD 0.621053 0.839506
82 ME8 0.614583 0.819277
83 1ZZ 0.614583 0.819277
84 TXA 0.614583 0.907895
85 GTA 0.613861 0.864198
86 9ZA 0.612903 0.909091
87 9ZD 0.612903 0.909091
88 KMQ 0.612245 0.907895
89 3UK 0.610526 0.894737
90 SON 0.604651 0.907895
91 ALF ADP 0.604396 0.848101
92 VO4 ADP 0.604396 0.92
93 WAQ 0.604167 0.860759
94 B5V 0.604167 0.883117
95 PR8 0.604167 0.829268
96 4UV 0.6 0.871795
97 GAP 0.6 0.87013
98 FYA 0.597938 0.881579
99 PTJ 0.597938 0.873418
100 LMS 0.597561 0.829268
101 UP5 0.596154 0.896104
102 FA5 0.59596 0.883117
103 PAP 0.595506 0.958333
104 A4P 0.59434 0.823529
105 XAH 0.59 0.841463
106 AFH 0.588235 0.8625
107 4UU 0.588235 0.871795
108 9SN 0.585859 0.85
109 2A5 0.58427 0.894737
110 T5A 0.583333 0.821429
111 DQV 0.582524 0.932432
112 NAI 0.580952 0.884615
113 B5M 0.58 0.871795
114 B5Y 0.58 0.871795
115 ITT 0.579545 0.917808
116 ATR 0.577778 0.944444
117 OMR 0.575472 0.831325
118 5AS 0.574713 0.781609
119 YLP 0.571429 0.8
120 48N 0.571429 0.873418
121 AP0 0.570093 0.873418
122 4TC 0.570093 0.873418
123 7D3 0.569767 0.881579
124 ADJ 0.568807 0.831325
125 DAL AMP 0.568421 0.881579
126 GNP 0.568421 0.922078
127 9GM 0.568421 0.922078
128 NAX 0.566038 0.851852
129 DND 0.566038 0.907895
130 6V0 0.566038 0.873418
131 4UW 0.566038 0.839506
132 TXD 0.566038 0.884615
133 ADN 0.565789 0.821918
134 XYA 0.565789 0.821918
135 RAB 0.565789 0.821918
136 AOC 0.564706 0.8
137 7D4 0.561798 0.881579
138 ADP BMA 0.561224 0.894737
139 TYM 0.560748 0.883117
140 TXE 0.560748 0.884615
141 GA7 0.557692 0.883117
142 YLC 0.555556 0.819277
143 YLB 0.555556 0.8
144 L3W 0.555556 0.907895
145 139 0.554545 0.851852
146 5N5 0.551282 0.797297
147 JB6 0.55 0.860759
148 LAQ 0.54717 0.819277
149 F2R 0.544643 0.843373
150 MYR AMP 0.544554 0.797619
151 A4D 0.544304 0.797297
152 5CD 0.544304 0.783784
153 80F 0.54386 0.821429
154 7MD 0.542857 0.864198
155 6AD 0.542553 0.886076
156 A2R 0.541667 0.958904
157 UPA 0.541284 0.884615
158 YLA 0.540541 0.8
159 BTX 0.539823 0.821429
160 COD 0.539823 0.793103
161 G5A 0.537634 0.781609
162 HFD 0.537634 0.921053
163 JSQ 0.537634 0.921053
164 CNA 0.535714 0.907895
165 AYB 0.535714 0.790698
166 3DH 0.535714 0.753247
167 BT5 0.535088 0.811765
168 ATP A 0.533981 0.905405
169 ATP A A A 0.533981 0.905405
170 IOT 0.531532 0.811765
171 MTA 0.53012 0.753247
172 3AM 0.529412 0.90411
173 A3P 0.52809 0.944444
174 NAD 0.526316 0.906667
175 PPS 0.526316 0.851852
176 NO7 0.525773 0.907895
177 EP4 0.52439 0.734177
178 7D5 0.52381 0.855263
179 AMP DBH 0.52381 0.87013
180 J7C 0.522727 0.75
181 H1Q 0.521739 0.88
182 A5A 0.520833 0.809524
183 EAD 0.520661 0.851852
184 TSB 0.520408 0.821429
185 AHZ 0.518519 0.797619
186 M2T 0.518072 0.716049
187 DTA 0.518072 0.766234
188 6RE 0.517241 0.740741
189 A3D 0.517241 0.894737
190 YLY 0.516949 0.790698
191 SSA 0.515464 0.802326
192 NA7 0.514852 0.933333
193 AR6 AR6 0.514019 0.893333
194 ARG AMP 0.514019 0.809524
195 7MC 0.513514 0.843373
196 A2P 0.511111 0.930556
197 VMS 0.510204 0.790698
198 54H 0.510204 0.790698
199 52H 0.510204 0.781609
200 TAD 0.509259 0.8625
201 NAQ 0.508333 0.85
202 A3N 0.505618 0.766234
203 CUU 0.505376 0.945205
204 AV2 0.505155 0.893333
205 53H 0.50505 0.781609
206 5CA 0.50505 0.802326
207 8X1 0.50505 0.755556
208 ARU 0.504951 0.839506
209 ZID 0.504132 0.894737
210 P1H 0.504 0.831325
211 AVV 0.5 0.873418
212 6MZ 0.5 0.905405
213 NAE 0.5 0.871795
214 3AT 0.5 0.945205
215 P5A 0.495146 0.747253
216 NSS 0.49505 0.802326
217 LSS 0.49505 0.764045
218 DSZ 0.49505 0.802326
219 N0B 0.491803 0.8
220 38V 0.491803 0.864198
221 ALF ADP 3PG 0.491071 0.817073
222 AF3 ADP 3PG 0.491071 0.817073
223 NVA LMS 0.490196 0.755556
224 O02 0.489583 0.922078
225 DAT 0.489362 0.881579
226 IMO 0.488889 0.90411
227 ZAS 0.488636 0.792208
228 FDA 0.488372 0.813953
229 NWW 0.487805 0.739726
230 D4F 0.487603 0.819277
231 NAJ PZO 0.487395 0.85
232 4TA 0.487179 0.788235
233 NAD TDB 0.486726 0.893333
234 NAD IBO 0.486726 0.893333
235 LPA AMP 0.486486 0.797619
236 DTP 0.484536 0.881579
237 V3L 0.484536 0.945205
238 GJV 0.483516 0.731707
239 S4M 0.483516 0.651685
240 DZD 0.483051 0.8625
241 2AM 0.482759 0.917808
242 5AD 0.481013 0.726027
243 KAA 0.480769 0.755556
244 GSU 0.480769 0.781609
245 NDE 0.480315 0.907895
246 M24 0.479339 0.851852
247 MAO 0.478261 0.761905
248 DSH 0.477778 0.707317
249 NEC 0.477778 0.727273
250 FAD 0.477273 0.831325
251 FAS 0.477273 0.831325
252 RGT 0.476636 0.933333
253 9K8 0.47619 0.698925
254 0WD 0.474576 0.897436
255 FNK 0.474074 0.786517
256 5X8 0.473684 0.74359
257 6FA 0.473282 0.821429
258 NDC 0.472868 0.85
259 FB0 0.472868 0.786517
260 YSA 0.472222 0.781609
261 LEU LMS 0.471154 0.733333
262 7DD 0.468085 0.958333
263 OVE 0.466667 0.881579
264 NWQ 0.465909 0.72
265 DZ4 0.464646 0.907895
266 MHZ 0.463158 0.701149
267 8PZ 0.462963 0.802326
268 AMP NAD 0.462185 0.881579
269 A3G 0.461538 0.779221
270 N5O 0.461538 0.74359
271 NAJ PYZ 0.459677 0.809524
272 6C6 0.459184 0.858974
273 B1U 0.458716 0.758242
274 LQJ 0.458716 0.893333
275 SFG 0.458333 0.730769
276 7D7 0.45679 0.723684
277 128 0.45614 0.8
278 SFD 0.455224 0.736842
279 DDS 0.454545 0.855263
280 GDP 0.454545 0.896104
281 6IA 0.454545 0.817073
282 NJP 0.453782 0.921053
283 ODP 0.453782 0.886076
284 7DT 0.453608 0.958333
285 J4G 0.45283 0.896104
286 A7D 0.452632 0.75641
287 Z5A 0.452381 0.802326
288 WSA 0.452174 0.790698
289 N5A 0.451613 0.717949
290 7C5 0.45045 0.797468
291 K3K 0.449541 0.782051
292 FAY 0.449275 0.841463
293 NDP 0.449153 0.897436
294 SA8 0.44898 0.690476
295 A5D 0.44898 0.766234
296 71V 0.446809 0.884615
297 GGZ 0.446602 0.804878
298 RFL 0.446043 0.802326
299 2SA 0.445545 0.907895
300 SAH 0.444444 0.725
301 SAI 0.444444 0.716049
302 GP3 0.444444 0.897436
303 PO4 PO4 A A A A PO4 0.443396 0.878378
304 QXG 0.443396 0.77907
305 4YB 0.442478 0.764045
306 QXP 0.442308 0.788235
307 K3E 0.441441 0.772152
308 S7M 0.441176 0.674419
309 SMM 0.441176 0.670455
310 GTP 0.441176 0.896104
311 V47 0.441176 0.763158
312 Y3J 0.440476 0.706667
313 SAM 0.44 0.674419
314 649 0.439655 0.747253
315 12D 0.438596 0.809524
316 A3S 0.4375 0.789474
317 NPW 0.436975 0.864198
318 GCP 0.436893 0.873418
319 EEM 0.435644 0.674419
320 AAT 0.435644 0.690476
321 GNH 0.435644 0.909091
322 ETB 0.435484 0.813953
323 DCA 0.435484 0.804598
324 KOY 0.434783 0.782051
325 N6P 0.433962 0.890411
326 NZQ 0.433333 0.886076
327 TXP 0.433333 0.897436
328 PGS 0.43299 0.860759
329 APU 0.432203 0.871795
330 PUA 0.432 0.8625
331 62F 0.431655 0.841463
332 F2N 0.431507 0.795455
333 DA 0.430108 0.855263
334 D5M 0.430108 0.855263
335 J7V 0.429688 0.813953
336 0T1 0.428571 0.804598
337 A3T 0.428571 0.8
338 COA 0.428571 0.804598
339 NIA 0.428571 0.848101
340 6K6 0.428571 0.905405
341 P5F 0.427586 0.804598
342 R2V 0.425926 0.788235
343 CZF 0.425743 0.906667
344 NX8 0.425743 0.698795
345 AAM 0.425532 0.944444
346 KYB 0.424528 0.714286
347 0UM 0.424528 0.682353
348 8Q2 0.423729 0.775281
349 G1R 0.423077 0.884615
350 AMZ 0.422222 0.891892
351 C2R 0.422222 0.88
352 QBQ 0.421569 0.883117
353 IDP 0.42 0.894737
354 K2W 0.419643 0.722892
355 KY2 0.419048 0.714286
356 GSP 0.419048 0.851852
357 1DG 0.418605 0.897436
358 COS 0.418605 0.786517
359 CAO 0.418605 0.777778
360 DG1 0.418605 0.897436
361 30N 0.418605 0.736842
362 AMX 0.418605 0.813953
363 KY5 0.418182 0.707317
364 TM1 0.418182 0.797619
365 9BG 0.418033 0.873418
366 A6D 0.416667 0.746988
367 K15 0.416667 0.666667
368 V1N 0.415929 0.893333
369 SCO 0.415385 0.804598
370 CMX 0.415385 0.804598
371 GEK 0.415094 0.719512
372 NHD 0.414634 0.881579
373 XNP 0.414634 0.851852
374 K38 0.414414 0.759494
375 9JJ 0.413793 0.841463
376 AIR 0.413793 0.876712
377 COK 0.413534 0.786517
378 K2K 0.412844 0.719512
379 G2R 0.412844 0.8625
380 KY8 0.412844 0.710843
381 FAM 0.412214 0.786517
382 FCX 0.412214 0.777778
383 ACO 0.412214 0.777778
384 KL2 0.411111 0.815789
385 NAP 0.410853 0.92
386 NWZ 0.41 0.686747
387 CNV FAD 0.409722 0.775281
388 FA9 0.409396 0.843373
389 SXZ 0.409091 0.694118
390 K2R 0.409091 0.857143
391 O05 0.409091 0.823529
392 HAX 0.409091 0.806818
393 TAP 0.407692 0.884615
394 62X 0.407407 0.651685
395 2MC 0.407407 0.752688
396 K2H 0.407407 0.7375
397 GKE 0.40708 0.8625
398 GDD 0.40708 0.8625
399 GDC 0.40708 0.8625
400 KYE 0.40708 0.697674
401 FYN 0.406015 0.804598
402 3KK 0.406015 0.786517
403 NVA 2AD 0.405941 0.740741
404 KXW 0.405172 0.690476
405 PLP AAD 0.404762 0.736264
406 NA0 0.40458 0.907895
407 101 0.404255 0.855263
408 G 0.40404 0.883117
409 5GP 0.40404 0.883117
410 FAJ 0.403974 0.811765
411 HDV 0.403846 0.87013
412 MGP 0.403846 0.8625
413 MCD 0.402985 0.786517
414 OXK 0.402985 0.786517
415 YZS 0.402985 0.714286
416 KGP 0.402985 0.714286
417 SOP 0.402985 0.786517
418 CA6 0.402985 0.714286
419 3AD 0.402299 0.783784
420 S8M 0.401869 0.78481
421 YE1 0.40146 0.795455
422 2VA 0.4 0.779221
423 6G0 0.4 0.8625
424 NMX 0.4 0.782609
425 CO6 0.4 0.786517
426 1VU 0.4 0.777778
427 GMV 0.4 0.873418
428 7RP 0.4 0.902778
429 CMC 0.4 0.786517
Similar Ligands (3D)
Ligand no: 1; Ligand: PML; Similar ligands found: 234
No: Ligand Similarity coefficient
1 RES 1.0000
2 GVA 0.9936
3 TEG 0.9610
4 4DI 0.9594
5 MLY 0.9585
6 DHH 0.9518
7 6HN 0.9477
8 CIR 0.9450
9 GGB 0.9449
10 ILO 0.9432
11 ARG 0.9432
12 4TB 0.9421
13 IAR 0.9410
14 DAR 0.9410
15 011 0.9394
16 8AC 0.9392
17 LYS 0.9328
18 SPD 0.9316
19 26P 0.9316
20 EXY 0.9311
21 MLZ 0.9311
22 CLT 0.9284
23 WT2 0.9275
24 4JK 0.9272
25 LPB 0.9260
26 LPA 0.9258
27 HC4 0.9258
28 KPC 0.9250
29 7XA 0.9240
30 ENV 0.9239
31 XRX 0.9236
32 AKG 0.9234
33 LVD 0.9233
34 ENW 0.9223
35 OYA 0.9221
36 AHN 0.9221
37 7BC 0.9221
38 VUR 0.9211
39 ODI 0.9186
40 JX7 0.9185
41 GRQ 0.9166
42 OC9 0.9166
43 ABH 0.9159
44 58X 0.9158
45 NNH 0.9152
46 DLY 0.9147
47 AG2 0.9147
48 HPL 0.9144
49 HAR 0.9144
50 LUQ 0.9132
51 M3L 0.9131
52 N6C 0.9127
53 Q06 0.9127
54 DIA 0.9125
55 ZZU 0.9118
56 GGG 0.9113
57 Z70 0.9113
58 5TO 0.9111
59 D10 0.9108
60 N8C 0.9104
61 NMM 0.9100
62 KDG 0.9100
63 1HS 0.9097
64 M1T 0.9089
65 2NP 0.9078
66 6FG 0.9078
67 6C8 0.9078
68 NOT 0.9076
69 FB6 0.9076
70 XI7 0.9070
71 NSD 0.9059
72 6XA 0.9052
73 B3M 0.9040
74 HPN 0.9039
75 P81 0.9034
76 64Z 0.9034
77 PJL 0.9030
78 FXY 0.9029
79 ACA 0.9019
80 AE3 0.9018
81 2FM 0.9018
82 API 0.9010
83 MF3 0.9009
84 SLZ 0.9005
85 SB7 0.8997
86 DIR 0.8991
87 4ZD 0.8990
88 AZM 0.8984
89 TCA 0.8982
90 ALY 0.8982
91 GLY GLY GLY 0.8981
92 KQY 0.8980
93 AHL 0.8978
94 PRO GLY 0.8978
95 GB5 0.8974
96 3YP 0.8969
97 NWH 0.8969
98 CUW 0.8964
99 FOM 0.8963
100 S8V 0.8963
101 MHN 0.8962
102 1PS 0.8962
103 ONH 0.8959
104 37E 0.8959
105 2JJ 0.8957
106 5OY 0.8957
107 S2C 0.8952
108 CXP 0.8945
109 O45 0.8944
110 6C9 0.8942
111 1N5 0.8939
112 DLT 0.8934
113 9YT 0.8934
114 DHC 0.8933
115 HRG 0.8922
116 2J3 0.8918
117 DNN 0.8917
118 5PV 0.8916
119 F98 0.8910
120 EGV 0.8904
121 XOG 0.8902
122 P93 0.8902
123 IVL 0.8901
124 HJD 0.8886
125 HPO 0.8885
126 NMH 0.8884
127 HGA 0.8883
128 6C4 0.8879
129 HSA 0.8873
130 BL0 0.8865
131 L06 0.8864
132 11X 0.8863
133 IJ6 0.8862
134 6C5 0.8859
135 SS9 0.8859
136 KLS 0.8858
137 DZA 0.8857
138 A5P 0.8851
139 E8U 0.8843
140 MGB 0.8839
141 DXP 0.8834
142 M3P 0.8834
143 7UC 0.8833
144 650 0.8831
145 OKP 0.8828
146 KPV 0.8825
147 DA3 0.8820
148 5LD 0.8818
149 DA2 0.8818
150 OJD 0.8813
151 BCH 0.8809
152 7OD 0.8793
153 DHM 0.8791
154 DER 0.8788
155 5AB 0.8787
156 PAU 0.8785
157 DDW 0.8779
158 PMV 0.8778
159 RGP 0.8776
160 HNE 0.8766
161 SSC 0.8758
162 3GZ 0.8751
163 7O4 0.8750
164 PBN 0.8748
165 4TP 0.8747
166 Q9Z 0.8746
167 5DL 0.8744
168 16D 0.8744
169 NF3 0.8741
170 JF5 0.8740
171 DXG 0.8737
172 3KJ 0.8734
173 7C3 0.8733
174 8SZ 0.8729
175 DEZ 0.8723
176 GLR 0.8717
177 4YZ 0.8716
178 3H2 0.8713
179 KLE 0.8711
180 IPR 0.8705
181 P80 0.8705
182 SZ7 0.8704
183 TBJ 0.8701
184 BGT 0.8699
185 I58 0.8699
186 QFJ 0.8694
187 IPE 0.8691
188 TZP 0.8691
189 N9J 0.8686
190 OCT 0.8683
191 3OL 0.8677
192 SSB 0.8670
193 PG0 0.8668
194 3XH 0.8667
195 DMA 0.8665
196 1X4 0.8661
197 DED 0.8661
198 5XA 0.8660
199 NTU 0.8658
200 LX1 0.8651
201 HLP 0.8649
202 3VQ 0.8646
203 R10 0.8642
204 PC 0.8640
205 REG 0.8636
206 LXP 0.8635
207 J4K 0.8634
208 NFZ 0.8629
209 A51 0.8628
210 0QA 0.8624
211 5KJ 0.8621
212 5RP 0.8619
213 492 0.8608
214 R5P 0.8607
215 D4G 0.8606
216 VFG 0.8598
217 BSA 0.8597
218 J9Y 0.8588
219 9GB 0.8587
220 6MW 0.8581
221 U4G 0.8580
222 6FR 0.8575
223 GHQ 0.8573
224 3OM 0.8570
225 3CX 0.8568
226 1H1 0.8562
227 PUE 0.8556
228 5H6 0.8555
229 2O8 0.8552
230 X1R 0.8552
231 BHL 0.8546
232 DST 0.8535
233 MZM 0.8518
234 1KJ 0.8516
Ligand no: 2; Ligand: ANP; Similar ligands found: 33
No: Ligand Similarity coefficient
1 ADP AF3 0.9867
2 ADP VO4 0.9840
3 ADP ALF 0.9835
4 BEF GDP 0.9733
5 GDP BEF 0.9732
6 ALF GDP 0.9572
7 DBG 0.9557
8 GDP ALF 0.9557
9 GDP AF3 0.9523
10 UTP 0.9434
11 DGT 0.9413
12 CTP 0.9332
13 UNP 0.9314
14 GDP MG 0.9298
15 8DG 0.9119
16 MGT 0.9080
17 TTP 0.9060
18 DUP 0.9039
19 GH3 0.8961
20 Y9Z 0.8940
21 MGO 0.8925
22 2TM 0.8903
23 2KH 0.8853
24 DUT 0.8825
25 DUT MG 0.8783
26 M7G 0.8756
27 GTP MG 0.8746
28 DCP 0.8734
29 DGI 0.8732
30 ALF 5GP 0.8646
31 RSN 0.8624
32 DCT 0.8623
33 G2P 0.8610
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5FM0; Ligand: WAQ; 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: 5fm0.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5FM0; Ligand: WAQ; 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: 5fm0.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
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