Receptor
PDB id Resolution Class Description Source Keywords
5MST 1.72 Å EC: 1.-.-.- STRUCTURE OF THE A DOMAIN OF CARBOXYLIC ACID REDUCTASE (CAR) SEGNILIPARUS RUGOSUS IN COMPLEX WITH AMP AND A CO-PURIFIED A CID SEGNILIPARUS RUGOSUS ATCC BAA-974 ADENYLATION DOMAIN CARBOXYLIC ACID REDUCTASE OXIDOREDUCTAS
Ref.: STRUCTURES OF CARBOXYLIC ACID REDUCTASE REVEAL DOMA DYNAMICS UNDERLYING CATALYSIS. NAT. CHEM. BIOL. V. 13 975 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:1201;
B:1201;
A:1202;
B:1202;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
FUM B:1203;
A:1203;
Valid;
Valid;
none;
none;
submit data
116.072 C4 H4 O4 C(=C/...
AMP B:1204;
A:1204;
Valid;
Valid;
none;
none;
submit data
347.221 C10 H14 N5 O7 P c1nc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5MST 1.72 Å EC: 1.-.-.- STRUCTURE OF THE A DOMAIN OF CARBOXYLIC ACID REDUCTASE (CAR) SEGNILIPARUS RUGOSUS IN COMPLEX WITH AMP AND A CO-PURIFIED A CID SEGNILIPARUS RUGOSUS ATCC BAA-974 ADENYLATION DOMAIN CARBOXYLIC ACID REDUCTASE OXIDOREDUCTAS
Ref.: STRUCTURES OF CARBOXYLIC ACID REDUCTASE REVEAL DOMA DYNAMICS UNDERLYING CATALYSIS. NAT. CHEM. BIOL. V. 13 975 2017
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 383 families.
1 5MST - FUM C4 H4 O4 C(=C/C(=O)....
2 5MSW - AMP C10 H14 N5 O7 P c1nc(c2c(n....
3 5MSS - AMP C10 H14 N5 O7 P c1nc(c2c(n....
4 5MSP - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
5 5MSV - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
6 5MSR - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
70% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 337 families.
1 5MST - FUM C4 H4 O4 C(=C/C(=O)....
2 5MSW - AMP C10 H14 N5 O7 P c1nc(c2c(n....
3 5MSS - AMP C10 H14 N5 O7 P c1nc(c2c(n....
4 5MSP - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
5 5MSV - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
6 5MSR - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
7 5MSU - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
8 5MSO - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
9 5MSC - AMP C10 H14 N5 O7 P c1nc(c2c(n....
10 5MSD - AMP C10 H14 N5 O7 P c1nc(c2c(n....
50% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 225 families.
1 5MST - FUM C4 H4 O4 C(=C/C(=O)....
2 5MSW - AMP C10 H14 N5 O7 P c1nc(c2c(n....
3 5MSS - AMP C10 H14 N5 O7 P c1nc(c2c(n....
4 5MSP - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
5 5MSV - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
6 5MSR - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
7 5MSU - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
8 5MSO - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
9 5MSC - AMP C10 H14 N5 O7 P c1nc(c2c(n....
10 5MSD - AMP C10 H14 N5 O7 P c1nc(c2c(n....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: FUM; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 MAE 1 1
2 FUM 1 1
3 CCU 0.5625 1
4 GLV 0.5 0.666667
Ligand no: 2; Ligand: AMP; Similar ligands found: 456
No: Ligand ECFP6 Tc MDL keys Tc
1 AMP 1 1
2 A 1 1
3 45A 0.833333 0.943662
4 ABM 0.833333 0.943662
5 A2D 0.833333 0.943662
6 AMP MG 0.830769 0.956522
7 ADP 0.823529 0.971429
8 BA3 0.808824 0.943662
9 AP2 0.808824 0.931507
10 A12 0.808824 0.931507
11 SRA 0.80303 0.944444
12 AP5 0.797101 0.943662
13 B4P 0.797101 0.943662
14 HEJ 0.788732 0.971429
15 ATP 0.788732 0.971429
16 AN2 0.785714 0.957747
17 AT4 0.785714 0.931507
18 APC 0.777778 0.931507
19 5FA 0.777778 0.971429
20 AQP 0.777778 0.971429
21 AU1 0.774648 0.944444
22 CA0 0.774648 0.917808
23 ADX 0.774648 0.848101
24 M33 0.774648 0.930556
25 KG4 0.763889 0.917808
26 ACP 0.763889 0.944444
27 50T 0.763889 0.957747
28 ADP BEF 0.760563 0.942857
29 ADP MG 0.760563 0.942857
30 25A 0.75641 0.971429
31 APR 0.753425 0.943662
32 AR6 0.753425 0.943662
33 PRX 0.753425 0.917808
34 TAT 0.746667 0.931507
35 T99 0.746667 0.931507
36 ACQ 0.746667 0.944444
37 AGS 0.743243 0.918919
38 RBY 0.743243 0.905405
39 ADV 0.743243 0.905405
40 AD9 0.743243 0.944444
41 ANP 0.723684 0.944444
42 APC MG 0.72 0.916667
43 ATP MG 0.72 0.942857
44 ADP PO3 0.72 0.942857
45 6YZ 0.717949 0.944444
46 5AL 0.714286 0.930556
47 V2G 0.714286 0.894737
48 8LE 0.714286 0.893333
49 SON 0.712329 0.931507
50 BEF ADP 0.710526 0.916667
51 LMS 0.710145 0.825
52 ADN 0.709677 0.842857
53 RAB 0.709677 0.842857
54 XYA 0.709677 0.842857
55 HQG 0.708861 0.957747
56 ATF 0.705128 0.931507
57 GAP 0.701299 0.891892
58 A22 0.7 0.957747
59 8LH 0.696203 0.905405
60 SRP 0.696203 0.905405
61 7D5 0.691176 0.902778
62 A2P 0.684932 0.956522
63 A3P 0.684932 0.971014
64 ALF ADP 0.683544 0.868421
65 ANP MG 0.683544 0.930556
66 VO4 ADP 0.683544 0.944444
67 ADQ 0.682927 0.917808
68 MAP 0.679012 0.918919
69 QA7 0.679012 0.893333
70 8LQ 0.679012 0.905405
71 5SV 0.670732 0.87013
72 OZV 0.670732 0.943662
73 9ZA 0.670732 0.906667
74 9ZD 0.670732 0.906667
75 OOB 0.670732 0.930556
76 8QN 0.670732 0.930556
77 PTJ 0.670588 0.894737
78 AOC 0.666667 0.84507
79 A1R 0.662651 0.881579
80 A3R 0.662651 0.881579
81 AMO 0.662651 0.905405
82 PAJ 0.662651 0.858974
83 4AD 0.662651 0.893333
84 5N5 0.661538 0.816901
85 DAL AMP 0.658537 0.90411
86 IMO 0.657534 0.928571
87 DLL 0.654762 0.930556
88 00A 0.654762 0.881579
89 AHX 0.654762 0.87013
90 JNT 0.654762 0.917808
91 5AS 0.653333 0.776471
92 A4D 0.651515 0.816901
93 5CD 0.651515 0.828571
94 6MZ 0.648649 0.957143
95 ADP BMA 0.647059 0.891892
96 3UK 0.647059 0.917808
97 OAD 0.647059 0.917808
98 9X8 0.647059 0.893333
99 25L 0.643678 0.957747
100 PR8 0.639535 0.848101
101 WAQ 0.639535 0.881579
102 LAD 0.639535 0.858974
103 B5V 0.639535 0.905405
104 DTA 0.637681 0.808219
105 V3L 0.6375 0.971429
106 3DH 0.633803 0.794521
107 3OD 0.632184 0.917808
108 FYA 0.632184 0.930556
109 BIS 0.632184 0.906667
110 TXA 0.632184 0.905405
111 1ZZ 0.632184 0.8375
112 ME8 0.632184 0.8375
113 NB8 0.632184 0.87013
114 MTA 0.628571 0.794521
115 3AM 0.625 0.956522
116 EP4 0.623188 0.773333
117 9SN 0.617977 0.87013
118 M2T 0.614286 0.753247
119 JB6 0.613636 0.881579
120 KMQ 0.611111 0.905405
121 FA5 0.611111 0.905405
122 B5Y 0.611111 0.893333
123 B5M 0.611111 0.893333
124 H1Q 0.607595 0.929577
125 MYR AMP 0.606742 0.814815
126 G5A 0.604938 0.776471
127 XAH 0.604396 0.8375
128 4UV 0.597826 0.893333
129 71V 0.597403 0.906667
130 ATP A 0.593407 0.929577
131 ATP A A A 0.593407 0.929577
132 PAP 0.592593 0.957143
133 G3A 0.591398 0.894737
134 2AM 0.589041 0.942857
135 5X8 0.5875 0.783784
136 6RE 0.586667 0.779221
137 6C6 0.585366 0.905405
138 G5P 0.585106 0.894737
139 AFH 0.585106 0.858974
140 4UU 0.585106 0.893333
141 GA7 0.585106 0.905405
142 7D3 0.584416 0.878378
143 A5A 0.583333 0.804878
144 TSB 0.581395 0.795181
145 AMP DBH 0.580645 0.891892
146 2A5 0.580247 0.891892
147 TAD 0.578947 0.858974
148 GTA 0.578947 0.860759
149 DQV 0.578947 0.930556
150 DSH 0.578947 0.74359
151 6IA 0.578313 0.858974
152 SSA 0.576471 0.776471
153 AMZ 0.575342 0.888889
154 C2R 0.575342 0.876712
155 7D4 0.575 0.878378
156 PGS 0.575 0.857143
157 ZAS 0.573333 0.786667
158 ATR 0.573171 0.942857
159 LAQ 0.572917 0.8375
160 AAM 0.571429 1
161 PPS 0.571429 0.848101
162 A3N 0.571429 0.783784
163 J7C 0.571429 0.789474
164 AIR 0.571429 0.927536
165 52H 0.569767 0.776471
166 54H 0.569767 0.785714
167 VMS 0.569767 0.785714
168 7MD 0.568421 0.8375
169 ARG AMP 0.568421 0.82716
170 AR6 AR6 0.568421 0.916667
171 YLP 0.56701 0.817073
172 48N 0.56701 0.87013
173 OVE 0.565789 0.90411
174 UPA 0.565657 0.881579
175 2SA 0.564706 0.905405
176 S4M 0.564103 0.682353
177 5CA 0.563218 0.776471
178 53H 0.563218 0.776471
179 8X1 0.563218 0.75
180 6V0 0.561224 0.87013
181 NAX 0.561224 0.848101
182 4UW 0.561224 0.858974
183 TXD 0.561224 0.881579
184 UP5 0.561224 0.893333
185 NAI 0.561224 0.881579
186 DND 0.561224 0.905405
187 NIA 0.56 0.820513
188 D5M 0.558442 0.902778
189 DA 0.558442 0.902778
190 NWW 0.557143 0.757143
191 MAO 0.556962 0.777778
192 AHZ 0.556701 0.814815
193 TXE 0.555556 0.881579
194 TYM 0.555556 0.905405
195 ITT 0.555556 0.915493
196 OMR 0.555556 0.82716
197 5AD 0.552239 0.768116
198 A2R 0.551724 0.957747
199 LPA AMP 0.55102 0.814815
200 DSZ 0.550562 0.776471
201 NSS 0.550562 0.776471
202 LSS 0.550562 0.758621
203 YLC 0.55 0.8375
204 L3W 0.55 0.905405
205 YLB 0.55 0.817073
206 AP0 0.55 0.87013
207 4TC 0.55 0.87013
208 P5A 0.549451 0.741573
209 J4G 0.549451 0.918919
210 139 0.54902 0.848101
211 O02 0.547619 0.894737
212 A4P 0.544554 0.819277
213 NVA LMS 0.544444 0.75
214 GJV 0.544304 0.769231
215 7D7 0.544118 0.763889
216 9K8 0.543478 0.711111
217 A7D 0.54321 0.797297
218 AF3 ADP 3PG 0.54 0.835443
219 ALF ADP 3PG 0.54 0.835443
220 6K6 0.539326 0.957143
221 IOT 0.539216 0.829268
222 LEU LMS 0.538462 0.747126
223 A3G 0.538462 0.797297
224 A5D 0.535714 0.808219
225 NAD IBO 0.534653 0.916667
226 7MC 0.534653 0.817073
227 NAD TDB 0.534653 0.916667
228 YLA 0.533981 0.817073
229 T5A 0.533981 0.817073
230 ADJ 0.533981 0.82716
231 GSU 0.532609 0.776471
232 KAA 0.532609 0.75
233 7RA 0.531646 0.985507
234 SFG 0.53012 0.77027
235 SAH 0.529412 0.763158
236 HFD 0.529412 0.918919
237 JSQ 0.529412 0.918919
238 AYB 0.528846 0.807229
239 CNA 0.528846 0.905405
240 N6P 0.527473 0.942029
241 8BR 0.525 0.931507
242 F2R 0.52381 0.839506
243 80F 0.523364 0.817073
244 Y3J 0.521127 0.746479
245 YSA 0.520833 0.776471
246 7RP 0.518987 0.955882
247 NAD 0.518868 0.930556
248 BTX 0.518868 0.839506
249 COD 0.518868 0.788235
250 MHZ 0.518072 0.714286
251 SA8 0.517647 0.725
252 6AD 0.517241 0.883117
253 BT5 0.514019 0.829268
254 DZD 0.514019 0.858974
255 RMB 0.5125 0.898551
256 CUU 0.511905 0.943662
257 SAI 0.511628 0.753247
258 AV2 0.511364 0.890411
259 K2R 0.510638 0.878378
260 8PZ 0.510417 0.776471
261 K3K 0.510417 0.8
262 A3D 0.509259 0.917808
263 A3S 0.506024 0.808219
264 3AT 0.505747 0.943662
265 SAM 0.505747 0.707317
266 SMM 0.505618 0.702381
267 NA7 0.505376 0.931507
268 B1U 0.505155 0.733333
269 AMP NAD 0.504673 0.90411
270 4TA 0.504673 0.804878
271 5GP 0.5 0.905405
272 EEM 0.5 0.707317
273 NEC 0.5 0.743243
274 NO7 0.5 0.905405
275 G 0.5 0.905405
276 AAT 0.5 0.725
277 YLY 0.495495 0.807229
278 M24 0.495495 0.848101
279 7C5 0.494949 0.815789
280 A3T 0.494118 0.819444
281 DAT 0.494118 0.878378
282 FAI 0.493827 0.888889
283 P2P 0.493827 0.928571
284 1RB 0.493671 0.911765
285 NAE 0.491071 0.893333
286 D4F 0.491071 0.8375
287 NAJ PZO 0.490909 0.846154
288 KOY 0.490196 0.8
289 LQJ 0.489796 0.916667
290 TM1 0.489583 0.771084
291 PO4 PO4 A A A A PO4 0.489362 0.901408
292 A6D 0.489362 0.740741
293 QXP 0.48913 0.761905
294 V47 0.488889 0.780822
295 S7M 0.488889 0.707317
296 DTP 0.488636 0.878378
297 RBZ 0.4875 0.873239
298 101 0.4875 0.902778
299 NWQ 0.487179 0.736111
300 EAD 0.486957 0.848101
301 NAQ 0.486726 0.87013
302 4YB 0.485149 0.758621
303 K3E 0.484848 0.789474
304 NDE 0.483051 0.931507
305 38V 0.482456 0.860759
306 N0B 0.482456 0.817073
307 ZID 0.482456 0.917808
308 N5O 0.481481 0.76
309 WSA 0.480769 0.785714
310 KL2 0.480519 0.861111
311 RGT 0.479592 0.931507
312 ARU 0.478723 0.835443
313 GGZ 0.478261 0.8
314 JLN 0.47561 0.863014
315 ANZ 0.475248 0.820513
316 QQY 0.475 0.837838
317 ACK 0.475 0.885714
318 QXG 0.473684 0.752941
319 NAJ PYZ 0.473684 0.804878
320 S8M 0.473118 0.779221
321 AVV 0.473118 0.87013
322 GEK 0.473118 0.734177
323 3AD 0.472973 0.828571
324 P1H 0.470588 0.82716
325 N5A 0.46988 0.733333
326 R2V 0.46875 0.761905
327 0UM 0.468085 0.716049
328 RVP 0.467532 0.847222
329 649 0.466667 0.741573
330 Z5A 0.465517 0.776471
331 PMO 0.464286 0.873239
332 O05 0.463918 0.819277
333 SXZ 0.463918 0.707317
334 62X 0.463158 0.682353
335 K2H 0.463158 0.753247
336 QQX 0.4625 0.826667
337 KY2 0.462366 0.75
338 8Q2 0.462264 0.75
339 OK8 0.461538 0.853333
340 K2W 0.46 0.7375
341 2VA 0.45977 0.797297
342 IMP 0.458824 0.90411
343 CC5 0.458333 0.84058
344 K15 0.458333 0.698795
345 AS 0.457831 0.855263
346 DDS 0.455556 0.851351
347 V1N 0.455446 0.943662
348 NJP 0.454545 0.918919
349 K38 0.454545 0.776316
350 K2K 0.453608 0.734177
351 7DD 0.453488 0.957143
352 G7M 0.453488 0.87013
353 93A 0.453488 0.804878
354 3D1 0.453333 0.77027
355 3L1 0.453333 0.77027
356 KYB 0.452632 0.75
357 EO7 0.452381 0.785714
358 NDC 0.45082 0.87013
359 FB0 0.45082 0.781609
360 DZ4 0.450549 0.855263
361 0WD 0.45045 0.894737
362 NVA 2AD 0.449438 0.75641
363 26A 0.447368 0.76
364 2FA 0.447368 0.810811
365 2BA 0.447059 0.914286
366 CMP 0.447059 0.927536
367 D3Y 0.446809 0.786667
368 K3H 0.445545 0.746835
369 VRT 0.444444 0.766234
370 APU 0.444444 0.893333
371 KB1 0.444444 0.716049
372 KY5 0.444444 0.74359
373 SO8 0.444444 0.786667
374 FDA 0.443548 0.809524
375 PUA 0.443478 0.858974
376 ODP 0.441441 0.883117
377 6FA 0.44 0.817073
378 NX8 0.43956 0.7125
379 RP1 0.439024 0.864865
380 SP1 0.439024 0.864865
381 103 0.439024 0.861111
382 3NZ 0.438776 0.779221
383 KY8 0.438776 0.746835
384 7DT 0.438202 0.957143
385 NDP 0.436364 0.894737
386 NPW 0.436364 0.860759
387 MTP 0.434211 0.727273
388 FAD 0.433071 0.82716
389 SFD 0.433071 0.712766
390 FAS 0.433071 0.82716
391 TXP 0.432432 0.894737
392 IRN 0.432432 0.867647
393 NZQ 0.432432 0.883117
394 ZZB 0.432432 0.792683
395 KYE 0.431373 0.731707
396 62F 0.430769 0.8375
397 FNK 0.430769 0.781609
398 128 0.429907 0.752941
399 9BG 0.428571 0.87013
400 KXW 0.428571 0.725
401 6MD 0.428571 0.805556
402 PAX 0.428571 0.82716
403 1DA 0.428571 0.842857
404 SLU 0.426087 0.767442
405 PLP AAD 0.426087 0.75
406 XNP 0.424779 0.848101
407 HZ2 0.424528 0.728395
408 12D 0.424528 0.761905
409 5F1 0.423077 0.72973
410 DCA 0.422414 0.8
411 ETB 0.422414 0.809524
412 NWZ 0.422222 0.7
413 F0P 0.422018 0.725
414 ERJ 0.421687 0.777778
415 WMP 0.421053 0.864865
416 GUO 0.421053 0.864865
417 OZP 0.420561 0.725
418 U4Y 0.420561 0.734177
419 HY8 0.416667 0.728395
420 FAY 0.416667 0.8375
421 38Y 0.415929 0.804878
422 5J9 0.415842 0.728395
423 NAD BBN 0.415385 0.817073
424 COA 0.415254 0.8
425 0T1 0.415254 0.8
426 KH3 0.415094 0.690476
427 N01 0.413793 0.90411
428 FMP 0.413793 0.871429
429 RFL 0.413534 0.797619
430 NMN AMP PO4 0.412281 0.868421
431 NAD CJ3 0.409091 0.788235
432 Q34 0.409091 0.690476
433 Q2M 0.409091 0.707317
434 GDP 0.408602 0.893333
435 GP2 0.408602 0.858974
436 NAP 0.408333 0.944444
437 NOC 0.407895 0.760563
438 CNV FAD 0.407407 0.770115
439 2ER 0.405941 0.831169
440 1PR 0.405941 0.820513
441 P5F 0.405797 0.8
442 CAO 0.404959 0.772727
443 30N 0.404959 0.731183
444 TAP 0.404959 0.906667
445 COS 0.404959 0.781609
446 AMX 0.404959 0.809524
447 EU9 0.40367 0.681818
448 XMP 0.402299 0.891892
449 G2P 0.402062 0.858974
450 NA0 0.401639 0.931507
451 CMX 0.401639 0.8
452 SCO 0.401639 0.8
453 9JJ 0.40146 0.8375
454 Q2P 0.4 0.690476
455 N37 0.4 0.730769
456 F2N 0.4 0.790698
Similar Ligands (3D)
Ligand no: 1; Ligand: FUM; Similar ligands found: 674
No: Ligand Similarity coefficient
1 HX2 1.0000
2 H95 1.0000
3 SIN 1.0000
4 4MV 0.9994
5 NMG 0.9994
6 SHF 0.9980
7 MLT 0.9849
8 2RH 0.9801
9 TEO 0.9795
10 OAA 0.9792
11 DQY 0.9775
12 LMR 0.9754
13 SSN 0.9737
14 OKG 0.9732
15 CMS 0.9731
16 CRN 0.9724
17 IOM 0.9724
18 OK7 0.9711
19 DYA 0.9705
20 ABU 0.9700
21 DAS 0.9693
22 COI 0.9681
23 GLY GLY 0.9679
24 UGC 0.9679
25 VKC 0.9674
26 MLI 0.9663
27 LEU 0.9660
28 ITN 0.9656
29 PG3 0.9655
30 LEA 0.9653
31 PGA 0.9650
32 ASP 0.9634
33 DAV 0.9618
34 GLU 0.9616
35 ASN 0.9612
36 NXA 0.9607
37 P2D 0.9601
38 HDA 0.9596
39 MLA 0.9593
40 SHO 0.9585
41 PRO 0.9582
42 JYD 0.9580
43 OEG 0.9572
44 X1S 0.9570
45 IZC 0.9561
46 6NA 0.9555
47 GUA 0.9546
48 4JU 0.9541
49 URP 0.9536
50 1GP 0.9535
51 SPA 0.9530
52 KIV 0.9522
53 40E 0.9519
54 TFB 0.9516
55 G3P 0.9516
56 IQ0 0.9500
57 2MH 0.9500
58 HTX 0.9493
59 9X7 0.9489
60 98J 0.9489
61 C21 0.9481
62 A8C 0.9473
63 HSE 0.9471
64 VAL 0.9469
65 IPU 0.9469
66 SD4 0.9464
67 THR 0.9463
68 GLN 0.9458
69 1KA 0.9449
70 3PP 0.9448
71 K34 0.9439
72 MAK 0.9439
73 HCS 0.9426
74 EOU 0.9422
75 BEN 0.9421
76 PCA 0.9418
77 FBJ 0.9415
78 GLL 0.9408
79 BUB 0.9394
80 2KT 0.9393
81 54D 0.9392
82 HYP 0.9386
83 URO 0.9384
84 THE 0.9384
85 282 0.9381
86 BEZ 0.9378
87 AAE 0.9378
88 MLM 0.9376
89 FPI 0.9376
90 3PY 0.9376
91 CFI 0.9375
92 ISZ 0.9375
93 DE5 0.9373
94 IVA 0.9371
95 DMG 0.9368
96 HE2 0.9367
97 PSE 0.9366
98 3SL 0.9365
99 AC0 0.9363
100 HZP 0.9363
101 QFH 0.9363
102 9YL 0.9359
103 SER 0.9358
104 PHU 0.9355
105 SRT 0.9354
106 NCA 0.9353
107 FOA 0.9351
108 PG0 0.9350
109 TP5 0.9345
110 NIZ 0.9344
111 BAM 0.9344
112 UNU 0.9339
113 T2C 0.9337
114 HSO 0.9337
115 49F 0.9336
116 FW5 0.9336
117 FQI 0.9332
118 ZBT 0.9329
119 HBA 0.9328
120 YIV 0.9327
121 DAB 0.9327
122 NIO 0.9320
123 C5J 0.9319
124 BNS 0.9318
125 AKG 0.9316
126 SMV 0.9315
127 S0H 0.9314
128 1DU 0.9312
129 RSO 0.9310
130 R2B 0.9310
131 273 0.9308
132 AKB 0.9308
133 BHO 0.9307
134 NVA 0.9304
135 PGH 0.9304
136 AL0 0.9301
137 PPR 0.9299
138 7WG 0.9299
139 69O 0.9298
140 TZC 0.9297
141 UYA 0.9294
142 TZL 0.9293
143 FBM 0.9293
144 G3H 0.9292
145 PBC 0.9292
146 265 0.9292
147 TLA 0.9291
148 ABN 0.9290
149 XBT 0.9289
150 BHH 0.9288
151 HSM 0.9288
152 6PC 0.9286
153 ETX 0.9285
154 PUT 0.9285
155 HL5 0.9285
156 NTN 0.9284
157 MEQ 0.9278
158 ACH 0.9276
159 IHG 0.9273
160 R67 0.9272
161 SPV 0.9272
162 HP6 0.9272
163 16D 0.9271
164 PYC 0.9270
165 PEP 0.9269
166 LTL 0.9266
167 JZ5 0.9265
168 A20 0.9264
169 QSC 0.9263
170 5XA 0.9263
171 BP9 0.9262
172 2PC 0.9261
173 14J 0.9260
174 SS2 0.9258
175 GP9 0.9258
176 M4T 0.9257
177 AC5 0.9257
178 M6W 0.9250
179 TPA 0.9248
180 TAR 0.9248
181 HIO 0.9243
182 0VT 0.9241
183 OGA 0.9235
184 4VP 0.9234
185 2CO 0.9233
186 OPE 0.9230
187 XAP 0.9229
188 PRS 0.9228
189 HIU 0.9228
190 4LR 0.9227
191 7N0 0.9226
192 HQE 0.9225
193 13P 0.9222
194 3SS 0.9222
195 4HA 0.9220
196 IXW 0.9220
197 DSN 0.9219
198 O8Y 0.9219
199 BE7 0.9218
200 PZI 0.9217
201 2RA 0.9215
202 PLQ 0.9214
203 AHB 0.9214
204 VGL 0.9213
205 FEH 0.9211
206 7VD 0.9210
207 JBN 0.9208
208 TIU 0.9208
209 9X6 0.9207
210 F9P 0.9204
211 M58 0.9204
212 FPY 0.9200
213 ILE 0.9200
214 NBN 0.9197
215 HBX 0.9197
216 2HG 0.9196
217 AMC 0.9193
218 YCP 0.9193
219 PE9 0.9193
220 SS1 0.9192
221 ALO 0.9192
222 1PT 0.9192
223 MRZ 0.9190
224 NBZ 0.9190
225 GZ3 0.9190
226 MRY 0.9188
227 NBE 0.9186
228 KMH 0.9185
229 DBB 0.9182
230 MZ0 0.9182
231 PZA 0.9181
232 C2B 0.9179
233 QY9 0.9179
234 DGY 0.9177
235 IDM 0.9177
236 AML 0.9176
237 DPR 0.9174
238 PAE 0.9174
239 4JL 0.9172
240 S2G 0.9171
241 CP 0.9169
242 SYN 0.9169
243 PYJ 0.9168
244 EHM 0.9167
245 1DV 0.9165
246 TB6 0.9164
247 VAH 0.9162
248 PIY 0.9162
249 PAC 0.9162
250 FPN 0.9161
251 FBA 0.9160
252 0V5 0.9159
253 PEQ 0.9159
254 JZ7 0.9156
255 GJZ 0.9154
256 UY7 0.9154
257 M3H 0.9152
258 B24 0.9149
259 129 0.9149
260 1SH 0.9149
261 3OL 0.9147
262 3HR 0.9146
263 CIZ 0.9146
264 DA1 0.9146
265 RBL 0.9145
266 PAH 0.9145
267 ABA 0.9143
268 2AS 0.9142
269 APY 0.9141
270 7A8 0.9140
271 HVQ 0.9140
272 FAN 0.9139
273 MUC 0.9138
274 3AB 0.9138
275 DCL 0.9136
276 CEJ 0.9134
277 53C 0.9133
278 JAB 0.9132
279 3HB 0.9131
280 I1E 0.9131
281 DGN 0.9130
282 PKU 0.9126
283 MPD 0.9126
284 MZW 0.9124
285 PIM 0.9120
286 ICF 0.9119
287 PIS 0.9117
288 KG7 0.9116
289 GLY ALA 0.9115
290 3OC 0.9115
291 DE2 0.9113
292 CXF 0.9113
293 CSS 0.9112
294 PMB 0.9110
295 7BC 0.9110
296 AG2 0.9110
297 3HL 0.9109
298 3OM 0.9108
299 1MR 0.9108
300 192 0.9107
301 XM0 0.9103
302 XRG 0.9103
303 CYX 0.9103
304 ORN 0.9102
305 ZGL 0.9099
306 HYA 0.9099
307 GGL 0.9097
308 2IT 0.9097
309 BXO 0.9096
310 LER 0.9094
311 R1X 0.9093
312 PCT 0.9092
313 MTD 0.9090
314 PHB 0.9089
315 23B 0.9087
316 PAB 0.9086
317 4CS 0.9085
318 ONL 0.9085
319 GAB 0.9084
320 IT2 0.9084
321 SAT 0.9084
322 WCE 0.9083
323 KVV 0.9082
324 9TY 0.9079
325 1SP 0.9078
326 DGL 0.9077
327 9ON 0.9077
328 OHG 0.9072
329 CYS 0.9072
330 BHL 0.9070
331 J9N 0.9069
332 BUA 0.9069
333 URS 0.9068
334 LLQ 0.9068
335 LDU 0.9064
336 FB2 0.9061
337 R9M 0.9060
338 23W 0.9059
339 NPO 0.9058
340 CCE 0.9054
341 ITU 0.9054
342 MEU 0.9054
343 URQ 0.9053
344 HV2 0.9052
345 1SA 0.9051
346 HY1 0.9050
347 7CL 0.9050
348 5HN 0.9050
349 HBD 0.9048
350 RB5 0.9048
351 XYL 0.9048
352 5FX 0.9046
353 J1Z 0.9046
354 MET 0.9045
355 SGL 0.9045
356 1DQ 0.9044
357 4P5 0.9044
358 3V4 0.9042
359 NLE 0.9040
360 IMR 0.9037
361 FLA 0.9037
362 OVV 0.9036
363 1Y6 0.9035
364 BZX 0.9033
365 HIS 0.9031
366 1DJ 0.9029
367 SKG 0.9029
368 FOC 0.9029
369 8GC 0.9028
370 MNN 0.9027
371 NVI 0.9026
372 NF3 0.9023
373 PLU 0.9022
374 3NT 0.9022
375 XUL 0.9022
376 HY3 0.9020
377 GG6 0.9019
378 BAL 0.9014
379 ROR 0.9013
380 2EH 0.9012
381 BMD 0.9009
382 XLS 0.9009
383 P72 0.9008
384 J9T 0.9004
385 K7M 0.9004
386 8K2 0.9003
387 SAR 0.9002
388 3HG 0.9000
389 3BZ 0.8997
390 DS0 0.8993
391 EDG 0.8992
392 BVG 0.8992
393 9J3 0.8991
394 PBZ 0.8991
395 SW7 0.8989
396 GOJ 0.8987
397 N6C 0.8987
398 SC2 0.8986
399 2HA 0.8985
400 JZ9 0.8984
401 SMB 0.8983
402 DXX 0.8982
403 FSG 0.8982
404 BRT 0.8981
405 PRI 0.8976
406 1P3 0.8976
407 1AB 0.8976
408 MXN 0.8975
409 IP8 0.8974
410 JAE 0.8970
411 0CT 0.8970
412 BZF 0.8969
413 KMT 0.8969
414 GAG 0.8968
415 MED 0.8967
416 HMH 0.8966
417 3S5 0.8965
418 BU4 0.8965
419 SHV 0.8963
420 51F 0.8962
421 AC6 0.8961
422 GPF 0.8959
423 8EW 0.8959
424 RNT 0.8959
425 GPJ 0.8958
426 826 0.8958
427 K6H 0.8958
428 9CL 0.8958
429 BZI 0.8957
430 4MA 0.8956
431 A3B 0.8951
432 DTL 0.8946
433 03W 0.8946
434 DEN 0.8945
435 BVC 0.8945
436 PPV 0.8945
437 PEA 0.8944
438 F60 0.8942
439 S8V 0.8939
440 2PN 0.8936
441 CHT 0.8936
442 HPV 0.8934
443 IND 0.8932
444 BUQ 0.8932
445 174 0.8932
446 069 0.8930
447 45L 0.8930
448 4ZA 0.8929
449 LZ1 0.8929
450 ABV 0.8928
451 NMJ 0.8927
452 PEL 0.8927
453 2K4 0.8922
454 FCN 0.8922
455 14O 0.8921
456 7MU 0.8921
457 PYF 0.8921
458 KOJ 0.8920
459 GBD 0.8919
460 717 0.8916
461 BAE 0.8915
462 LNO 0.8914
463 5H1 0.8913
464 GOL 0.8911
465 4WL 0.8911
466 QDK 0.8910
467 RSF 0.8910
468 M45 0.8909
469 4JP 0.8909
470 SEP 0.8906
471 ACA 0.8906
472 POA 0.8905
473 25T 0.8905
474 ODV 0.8904
475 TH7 0.8901
476 SME 0.8900
477 60P 0.8899
478 3QM 0.8897
479 OEM 0.8895
480 HUI 0.8895
481 6AI 0.8893
482 DTU 0.8891
483 C2N 0.8891
484 KVP 0.8891
485 CCD 0.8888
486 0R1 0.8887
487 OXQ 0.8887
488 DMV 0.8887
489 PY7 0.8886
490 HDH 0.8883
491 XPO 0.8883
492 2EZ 0.8883
493 5MI 0.8880
494 DHI 0.8879
495 POP 0.8879
496 TZE 0.8878
497 CEE 0.8876
498 271 0.8876
499 I4B 0.8876
500 Z82 0.8874
501 NM3 0.8873
502 GVH 0.8872
503 258 0.8870
504 39J 0.8869
505 3OH 0.8869
506 MPI 0.8866
507 I2M 0.8866
508 DCY 0.8865
509 CHH 0.8863
510 AX7 0.8863
511 2HE 0.8857
512 173 0.8856
513 NCT 0.8855
514 TAU 0.8855
515 SAL 0.8853
516 5MB 0.8853
517 NM2 0.8853
518 TH0 0.8852
519 HHI 0.8851
520 2CK 0.8844
521 4SD 0.8841
522 270 0.8840
523 EGD 0.8840
524 PAF 0.8834
525 FBW 0.8831
526 2MI 0.8831
527 MTG 0.8830
528 4SV 0.8820
529 QMP 0.8814
530 GVG 0.8814
531 VNJ 0.8813
532 INO 0.8811
533 3SK 0.8810
534 264 0.8810
535 G2H 0.8807
536 DIR 0.8806
537 4JT 0.8806
538 3U4 0.8804
539 DHB 0.8803
540 MSF 0.8802
541 4A3 0.8800
542 TYL 0.8799
543 11S 0.8797
544 ES6 0.8797
545 LYS 0.8796
546 2FT 0.8796
547 H8N 0.8796
548 SLP 0.8794
549 ICN 0.8793
550 3GR 0.8792
551 8X3 0.8792
552 HG3 0.8791
553 HGA 0.8791
554 8EZ 0.8791
555 RMN 0.8786
556 RBJ 0.8786
557 1DH 0.8784
558 3ID 0.8784
559 SMN 0.8784
560 FJO 0.8783
561 F05 0.8783
562 KPL 0.8782
563 4NC 0.8778
564 6M4 0.8777
565 BNF 0.8777
566 P9P 0.8776
567 FCR 0.8776
568 BE2 0.8776
569 9RW 0.8775
570 DMD 0.8775
571 2HO 0.8773
572 51R 0.8770
573 3HM 0.8769
574 ES9 0.8767
575 FHB 0.8763
576 3PG 0.8763
577 8OZ 0.8761
578 152 0.8760
579 A09 0.8760
580 NNO 0.8759
581 AT3 0.8755
582 OTR 0.8752
583 IHB 0.8752
584 ISU 0.8752
585 QSB 0.8747
586 PRA 0.8746
587 MYJ 0.8746
588 FK1 0.8745
589 1WD 0.8744
590 CHB 0.8744
591 TIH 0.8744
592 9TW 0.8743
593 P7I 0.8743
594 0OC 0.8741
595 AOA 0.8741
596 93K 0.8740
597 AAS 0.8739
598 AHR 0.8739
599 NPY 0.8738
600 MDN 0.8738
601 JB5 0.8735
602 2AL 0.8735
603 SAN 0.8734
604 QUZ 0.8734
605 TSU 0.8734
606 P92 0.8733
607 BTL 0.8732
608 7WV 0.8731
609 JKE 0.8731
610 H4N 0.8730
611 5AC 0.8726
612 DHS 0.8726
613 3BB 0.8726
614 COM 0.8726
615 PO6 0.8724
616 2PG 0.8724
617 IWT 0.8723
618 DAL DAL 0.8722
619 03V 0.8719
620 N4B 0.8719
621 HQJ 0.8717
622 WOT 0.8716
623 COU 0.8716
624 FBB 0.8716
625 SNE 0.8716
626 FBS 0.8716
627 2AQ 0.8712
628 3YP 0.8706
629 3AL 0.8701
630 1AC 0.8700
631 OCH 0.8699
632 6M9 0.8698
633 JLZ 0.8694
634 L5V 0.8693
635 K2T 0.8692
636 RUU 0.8691
637 DSS 0.8687
638 ES5 0.8684
639 YRL 0.8676
640 VX 0.8676
641 F4E 0.8672
642 HX4 0.8670
643 JFJ 0.8667
644 ETM 0.8664
645 4FA 0.8658
646 4J8 0.8655
647 4FS 0.8647
648 6TZ 0.8645
649 H42 0.8645
650 24T 0.8644
651 MPV 0.8640
652 C2A 0.8639
653 8NY 0.8637
654 E5X 0.8635
655 BZ3 0.8623
656 EFS 0.8613
657 HYN 0.8611
658 TCA 0.8610
659 4JM 0.8610
660 PC 0.8604
661 1P8 0.8603
662 5OB 0.8601
663 650 0.8599
664 AEF 0.8599
665 5WV 0.8595
666 CPZ 0.8593
667 MSE 0.8589
668 KKN 0.8571
669 3PF 0.8559
670 ANN 0.8553
671 MSR 0.8552
672 5XC 0.8530
673 261 0.8521
674 5QY 0.8521
Ligand no: 2; Ligand: AMP; Similar ligands found: 216
No: Ligand Similarity coefficient
1 IRP 0.9883
2 DI 0.9755
3 8OP 0.9715
4 IMU 0.9698
5 TKW 0.9696
6 MZP 0.9690
7 PFU 0.9673
8 5FU 0.9664
9 DG 0.9620
10 6MA 0.9618
11 6CG 0.9613
12 U5P 0.9607
13 DGP 0.9601
14 PSU 0.9555
15 C5P 0.9513
16 FDM 0.9499
17 TMP 0.9498
18 5BU 0.9493
19 QBT 0.9492
20 FNU 0.9488
21 8GM 0.9484
22 UFP 0.9484
23 NYM 0.9477
24 5HM 0.9472
25 6OG 0.9471
26 5CM 0.9461
27 16B 0.9451
28 FN5 0.9442
29 NCN 0.9424
30 C 0.9418
31 9L3 0.9417
32 Z8B 0.9410
33 UP6 0.9400
34 NMN 0.9397
35 H2U 0.9395
36 ICR 0.9389
37 BMP 0.9380
38 UMP 0.9373
39 U 0.9368
40 BRU 0.9365
41 CH 0.9364
42 BMQ 0.9360
43 MTH 0.9360
44 8OG 0.9356
45 MTM 0.9347
46 CNU 0.9342
47 MTI 0.9342
48 6SW 0.9342
49 D4M 0.9334
50 2DT 0.9334
51 UMC 0.9304
52 CAR 0.9298
53 5IU 0.9287
54 5HU 0.9283
55 O7E 0.9281
56 DCM 0.9270
57 KB7 0.9270
58 DU 0.9269
59 DC 0.9269
60 NUP 0.9238
61 7CH 0.9219
62 DDN 0.9211
63 MCF 0.9205
64 PCG 0.9201
65 O8M 0.9197
66 DUS 0.9192
67 U6M 0.9180
68 S5P 0.9167
69 DOC 0.9149
70 3F5 0.9146
71 6SX 0.9133
72 U4S 0.9101
73 35G 0.9100
74 N8M 0.9089
75 6CN 0.9083
76 CDP 0.9080
77 T3S 0.9079
78 U1S 0.9071
79 MTE 0.9067
80 U2S 0.9058
81 DBM 0.9053
82 BVP 0.9052
83 4X2 0.9040
84 ATM 0.9025
85 SB8 0.9022
86 INR 0.9008
87 UA2 0.9007
88 A8M 0.9006
89 IMH 0.9006
90 TAL 0.8998
91 SSI 0.8986
92 U3S 0.8983
93 1B6 0.8972
94 3Q1 0.8972
95 TBN 0.8968
96 NOS 0.8966
97 IXF 0.8952
98 AD3 0.8932
99 1BJ 0.8932
100 SU1 0.8927
101 43J 0.8924
102 6SY 0.8920
103 9ZS 0.8918
104 IDP 0.8918
105 6SZ 0.8915
106 JW5 0.8914
107 OMP 0.8905
108 CC7 0.8903
109 T7O 0.8893
110 6AU 0.8887
111 PRH 0.8871
112 HPR 0.8871
113 2GE 0.8871
114 3Q2 0.8869
115 FMC 0.8862
116 ARJ 0.8861
117 9DI 0.8859
118 GNH 0.8855
119 3Q0 0.8849
120 GMP 0.8848
121 FMB 0.8845
122 4EZ 0.8839
123 K8W 0.8831
124 UM3 0.8830
125 MI1 0.8828
126 5ID 0.8815
127 NVV 0.8812
128 HDU 0.8812
129 43G 0.8808
130 UDP 0.8793
131 CFE 0.8793
132 FTU 0.8791
133 HMK 0.8787
134 5FD 0.8778
135 DN8 0.8777
136 72H 0.8776
137 7CU 0.8776
138 2OM 0.8774
139 CZV 0.8771
140 FSB 0.8768
141 HGH 0.8760
142 DOI 0.8756
143 3BH 0.8754
144 XYP TRS XYP 0.8748
145 FGN 0.8746
146 5NB 0.8741
147 LRT 0.8737
148 M7G 0.8735
149 NYZ 0.8731
150 3RA 0.8725
151 MSS 0.8719
152 TXS 0.8712
153 8OD 0.8710
154 S1Z 0.8709
155 4ZK 0.8706
156 L0F 0.8706
157 IYX 0.8702
158 GOW 0.8702
159 EKH 0.8698
160 CQU 0.8694
161 KFS 0.8692
162 0NL 0.8691
163 T3P 0.8690
164 F2B 0.8690
165 4K9 0.8689
166 PWH 0.8686
167 CL9 0.8686
168 GQE 0.8681
169 P1S 0.8676
170 SNI 0.8676
171 9ST 0.8674
172 GAR 0.8673
173 566 0.8671
174 DGI 0.8669
175 9ME 0.8666
176 RVA 0.8664
177 H4H 0.8662
178 SBW 0.8659
179 9W8 0.8653
180 2HW 0.8653
181 BSB 0.8653
182 GNG 0.8644
183 TDI 0.8643
184 MDR 0.8641
185 6HW 0.8634
186 460 0.8634
187 T61 0.8631
188 C1Y 0.8627
189 HLN 0.8624
190 43H 0.8621
191 TYD 0.8615
192 IXE 0.8613
193 66P 0.8609
194 I0D 0.8609
195 MG7 0.8608
196 MHR 0.8608
197 JY5 0.8606
198 4UB 0.8600
199 CC2 0.8599
200 JZJ 0.8598
201 F13 0.8595
202 PDB 0.8588
203 517 0.8585
204 BHF 0.8579
205 IWH 0.8576
206 XYS AZI XYS 0.8571
207 9X0 0.8566
208 KKE 0.8563
209 9RK 0.8559
210 VAL TRP 0.8553
211 4F0 0.8553
212 IYZ 0.8549
213 FKJ 0.8547
214 361 0.8538
215 E44 0.8526
216 E3Y 0.8504
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5MST; Ligand: FUM; Similar sites found with APoc: 4
This union binding pocket(no: 1) in the query (biounit: 5mst.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 1RY2 AMP 2.41327
2 1AMU AMP 26.2877
3 6IJB AMP 28.9425
4 6IJB A8C 28.9425
Pocket No.: 2; Query (leader) PDB : 5MST; Ligand: AMP; Similar sites found with APoc: 9
This union binding pocket(no: 2) in the query (biounit: 5mst.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 1RY2 AMP 2.41327
2 5N9X ATP 23.8185
3 5IE3 OXD 24.5136
4 5IE3 AMP 24.5136
5 1AMU AMP 26.2877
6 6IJB AMP 28.9425
7 6K4D D4F 33.578
8 6K4D ESJ 33.578
9 2D1S SLU 34.1241
Pocket No.: 3; Query (leader) PDB : 5MST; Ligand: AMP; Similar sites found with APoc: 15
This union binding pocket(no: 3) in the query (biounit: 5mst.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 1RY2 AMP 2.41327
2 6ULY QA7 3.81944
3 6ULY QA7 3.81944
4 4OXI GAP 9.89583
5 3C5E ATP 19.2982
6 5N9X ATP 23.8185
7 1AMU AMP 26.2877
8 1AMU AMP 26.2877
9 1V25 ANP 27.3567
10 1V25 ANP 27.3567
11 6IJB AMP 28.9425
12 3NYQ AMP 30.099
13 3NYQ MCA 30.099
14 6K4D D4F 33.578
15 6K4D ESJ 33.578
Pocket No.: 4; Query (leader) PDB : 5MST; Ligand: FUM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 5mst.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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