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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 318 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 280 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 187 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
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: 395
No: Ligand ECFP6 Tc MDL keys Tc
1 A 1 1
2 AMP 1 1
3 A2D 0.833333 0.943662
4 ABM 0.833333 0.943662
5 ADP 0.823529 0.971429
6 A12 0.808824 0.931507
7 AP2 0.808824 0.931507
8 BA3 0.808824 0.943662
9 SRA 0.80303 0.944444
10 AP5 0.797101 0.943662
11 B4P 0.797101 0.943662
12 HEJ 0.788732 0.971429
13 ATP 0.788732 0.971429
14 AT4 0.785714 0.931507
15 AN2 0.785714 0.957747
16 5FA 0.777778 0.971429
17 AQP 0.777778 0.971429
18 APC 0.777778 0.931507
19 CA0 0.774648 0.917808
20 M33 0.774648 0.930556
21 AU1 0.774648 0.944444
22 ADX 0.774648 0.848101
23 ACP 0.763889 0.944444
24 50T 0.763889 0.957747
25 25A 0.75641 0.971429
26 AR6 0.753425 0.943662
27 PRX 0.753425 0.917808
28 APR 0.753425 0.943662
29 ACQ 0.746667 0.944444
30 T99 0.746667 0.931507
31 TAT 0.746667 0.931507
32 SAP 0.743243 0.918919
33 AD9 0.743243 0.944444
34 AGS 0.743243 0.918919
35 RBY 0.743243 0.905405
36 ADV 0.743243 0.905405
37 ANP 0.723684 0.944444
38 ADP PO3 0.72 0.942857
39 6YZ 0.717949 0.944444
40 5AL 0.714286 0.930556
41 SON 0.712329 0.931507
42 LMS 0.710145 0.825
43 RAB 0.709677 0.842857
44 XYA 0.709677 0.842857
45 ADN 0.709677 0.842857
46 ATF 0.705128 0.931507
47 GAP 0.701299 0.891892
48 A22 0.7 0.957747
49 SRP 0.696203 0.905405
50 7D5 0.691176 0.902778
51 A3P 0.684932 0.971014
52 A2P 0.684932 0.956522
53 ADP ALF 0.683544 0.868421
54 ALF ADP 0.683544 0.868421
55 ADQ 0.682927 0.917808
56 MAP 0.679012 0.918919
57 ADP VO4 0.675 0.930556
58 VO4 ADP 0.675 0.930556
59 OOB 0.670732 0.930556
60 9ZA 0.670732 0.906667
61 8QN 0.670732 0.930556
62 5SV 0.670732 0.87013
63 9ZD 0.670732 0.906667
64 PTJ 0.670588 0.894737
65 AOC 0.666667 0.84507
66 PAJ 0.662651 0.858974
67 4AD 0.662651 0.893333
68 A3R 0.662651 0.881579
69 A1R 0.662651 0.881579
70 AMO 0.662651 0.905405
71 5N5 0.661538 0.816901
72 DAL AMP 0.658537 0.90411
73 IMO 0.657534 0.928571
74 AHX 0.654762 0.87013
75 00A 0.654762 0.881579
76 DLL 0.654762 0.930556
77 5AS 0.653333 0.776471
78 A4D 0.651515 0.816901
79 5CD 0.651515 0.828571
80 9X8 0.647059 0.893333
81 OAD 0.647059 0.917808
82 3UK 0.647059 0.917808
83 ADP BMA 0.647059 0.891892
84 25L 0.643678 0.957747
85 PR8 0.639535 0.848101
86 WAQ 0.639535 0.881579
87 LAD 0.639535 0.858974
88 B5V 0.639535 0.905405
89 DTA 0.637681 0.808219
90 V3L 0.6375 0.971429
91 3DH 0.633803 0.794521
92 BIS 0.632184 0.906667
93 ME8 0.632184 0.8375
94 3OD 0.632184 0.917808
95 FYA 0.632184 0.930556
96 NB8 0.632184 0.87013
97 1ZZ 0.632184 0.8375
98 TXA 0.632184 0.905405
99 MTA 0.628571 0.794521
100 3AM 0.625 0.956522
101 EP4 0.623188 0.773333
102 A A 0.62069 0.971429
103 9SN 0.617977 0.87013
104 M2T 0.614286 0.753247
105 JB6 0.613636 0.881579
106 YAP 0.611111 0.893333
107 B5Y 0.611111 0.893333
108 FA5 0.611111 0.905405
109 B5M 0.611111 0.893333
110 MYR AMP 0.606742 0.814815
111 G5A 0.604938 0.776471
112 XAH 0.604396 0.8375
113 4UV 0.597826 0.893333
114 71V 0.597403 0.906667
115 ATP A A A 0.593407 0.929577
116 PAP 0.592593 0.957143
117 G3A 0.591398 0.894737
118 2AM 0.589041 0.942857
119 5X8 0.5875 0.783784
120 6RE 0.586667 0.779221
121 6C6 0.585366 0.905405
122 AFH 0.585106 0.858974
123 4UU 0.585106 0.893333
124 G5P 0.585106 0.894737
125 GA7 0.585106 0.905405
126 7D3 0.584416 0.878378
127 A5A 0.583333 0.804878
128 TSB 0.581395 0.795181
129 AMP DBH 0.580645 0.891892
130 TYR AMP 0.580645 0.868421
131 2A5 0.580247 0.891892
132 DQV 0.578947 0.930556
133 DSH 0.578947 0.74359
134 GTA 0.578947 0.860759
135 TAD 0.578947 0.858974
136 6IA 0.578313 0.858974
137 SSA 0.576471 0.776471
138 AMZ 0.575342 0.888889
139 C2R 0.575342 0.876712
140 PGS 0.575 0.857143
141 7D4 0.575 0.878378
142 ZAS 0.573333 0.786667
143 ATR 0.573171 0.942857
144 LAQ 0.572917 0.8375
145 AAM 0.571429 1
146 J7C 0.571429 0.789474
147 A3N 0.571429 0.783784
148 PPS 0.571429 0.848101
149 AIR 0.571429 0.927536
150 52H 0.569767 0.776471
151 54H 0.569767 0.785714
152 VMS 0.569767 0.785714
153 AR6 AR6 0.568421 0.916667
154 ARG AMP 0.568421 0.82716
155 7MD 0.568421 0.8375
156 YLP 0.56701 0.817073
157 48N 0.56701 0.87013
158 OVE 0.565789 0.90411
159 UPA 0.565657 0.881579
160 2SA 0.564706 0.905405
161 S4M 0.564103 0.682353
162 5CA 0.563218 0.776471
163 53H 0.563218 0.776471
164 8X1 0.563218 0.75
165 UP5 0.561224 0.893333
166 NAI 0.561224 0.881579
167 6V0 0.561224 0.87013
168 NAX 0.561224 0.848101
169 4UW 0.561224 0.858974
170 DND 0.561224 0.905405
171 TXD 0.561224 0.881579
172 NXX 0.561224 0.905405
173 NIA 0.56 0.820513
174 D5M 0.558442 0.902778
175 DA 0.558442 0.902778
176 MAO 0.556962 0.777778
177 AHZ 0.556701 0.814815
178 OMR 0.555556 0.82716
179 ITT 0.555556 0.915493
180 TYM 0.555556 0.905405
181 TXE 0.555556 0.881579
182 5AD 0.552239 0.768116
183 A2R 0.551724 0.957747
184 LPA AMP 0.55102 0.814815
185 DSZ 0.550562 0.776471
186 NSS 0.550562 0.776471
187 LSS 0.550562 0.758621
188 AP0 0.55 0.87013
189 YLC 0.55 0.8375
190 4TC 0.55 0.87013
191 YLB 0.55 0.817073
192 P5A 0.549451 0.741573
193 139 0.54902 0.848101
194 A4P 0.544554 0.819277
195 NVA LMS 0.544444 0.75
196 GJV 0.544304 0.769231
197 7D7 0.544118 0.763889
198 9K8 0.543478 0.711111
199 A7D 0.54321 0.797297
200 AF3 ADP 3PG 0.54 0.835443
201 6K6 0.539326 0.957143
202 IOT 0.539216 0.829268
203 A3G 0.538462 0.797297
204 LEU LMS 0.538462 0.75
205 A5D 0.535714 0.808219
206 7MC 0.534653 0.817073
207 T5A 0.533981 0.817073
208 ADJ 0.533981 0.82716
209 YLA 0.533981 0.817073
210 GSU 0.532609 0.776471
211 KAA 0.532609 0.75
212 7RA 0.531646 0.985507
213 SFG 0.53012 0.77027
214 SAH 0.529412 0.763158
215 HFD 0.529412 0.918919
216 AYB 0.528846 0.807229
217 CNA 0.528846 0.905405
218 N6P 0.527473 0.942029
219 8BR 0.525 0.931507
220 F2R 0.52381 0.839506
221 80F 0.523364 0.817073
222 Y3J 0.521127 0.746479
223 YSA 0.520833 0.776471
224 7RP 0.518987 0.955882
225 BTX 0.518868 0.839506
226 NAD 0.518868 0.930556
227 COD 0.518868 0.788235
228 G A A A 0.518868 0.87013
229 MHZ 0.518072 0.714286
230 SA8 0.517647 0.725
231 6AD 0.517241 0.883117
232 DZD 0.514019 0.858974
233 BT5 0.514019 0.829268
234 RMB 0.5125 0.898551
235 SAI 0.511628 0.753247
236 AV2 0.511364 0.890411
237 8PZ 0.510417 0.776471
238 A3D 0.509259 0.917808
239 A3S 0.506024 0.808219
240 3AT 0.505747 0.943662
241 SAM 0.505747 0.707317
242 SMM 0.505618 0.702381
243 NA7 0.505376 0.931507
244 4TA 0.504673 0.804878
245 AMP NAD 0.504673 0.90411
246 EEM 0.5 0.707317
247 G 0.5 0.905405
248 NEC 0.5 0.743243
249 5GP 0.5 0.905405
250 AAT 0.5 0.725
251 YLY 0.495495 0.807229
252 M24 0.495495 0.848101
253 7C5 0.494949 0.815789
254 DAT 0.494118 0.878378
255 A3T 0.494118 0.819444
256 P2P 0.493827 0.928571
257 FAI 0.493827 0.888889
258 1RB 0.493671 0.911765
259 NAE 0.491071 0.893333
260 U A 0.490909 0.906667
261 NAJ PZO 0.490909 0.846154
262 A G 0.490741 0.881579
263 TM1 0.489583 0.771084
264 A A A 0.489362 0.90411
265 A6D 0.489362 0.740741
266 PO4 PO4 A A A A PO4 0.489362 0.901408
267 S7M 0.488889 0.707317
268 DTP 0.488636 0.878378
269 RBZ 0.4875 0.873239
270 101 0.4875 0.902778
271 EAD 0.486957 0.848101
272 NAQ 0.486726 0.87013
273 U A G G 0.486239 0.881579
274 4YB 0.485149 0.758621
275 NDE 0.483051 0.931507
276 ZID 0.482456 0.917808
277 N0B 0.482456 0.817073
278 WSA 0.480769 0.785714
279 RGT 0.479592 0.931507
280 ARU 0.478723 0.835443
281 GGZ 0.478261 0.8
282 JLN 0.47561 0.863014
283 ANZ 0.475248 0.820513
284 QQY 0.475 0.837838
285 ACK 0.475 0.885714
286 NAJ PYZ 0.473684 0.804878
287 S8M 0.473118 0.779221
288 GEK 0.473118 0.734177
289 AVV 0.473118 0.87013
290 3AD 0.472973 0.828571
291 A U 0.471698 0.868421
292 P1H 0.470588 0.82716
293 0UM 0.468085 0.716049
294 RVP 0.467532 0.847222
295 649 0.466667 0.741573
296 Z5A 0.465517 0.776471
297 PMO 0.464286 0.873239
298 SXZ 0.463918 0.707317
299 62X 0.463158 0.682353
300 QQX 0.4625 0.826667
301 8Q2 0.462264 0.75
302 2VA 0.45977 0.797297
303 IMP 0.458824 0.90411
304 K15 0.458333 0.698795
305 CC5 0.458333 0.84058
306 AS 0.457831 0.855263
307 DDS 0.455556 0.851351
308 V1N 0.455446 0.943662
309 NJP 0.454545 0.918919
310 7DD 0.453488 0.957143
311 93A 0.453488 0.804878
312 G7M 0.453488 0.87013
313 3L1 0.453333 0.77027
314 3D1 0.453333 0.77027
315 EO7 0.452381 0.785714
316 NDC 0.45082 0.87013
317 FB0 0.45082 0.781609
318 0WD 0.45045 0.894737
319 NVA 2AD 0.449438 0.75641
320 26A 0.447368 0.76
321 2FA 0.447368 0.810811
322 2BA 0.447059 0.914286
323 CMP 0.447059 0.927536
324 D3Y 0.446809 0.786667
325 KB1 0.444444 0.716049
326 APU 0.444444 0.893333
327 VRT 0.444444 0.766234
328 SO8 0.444444 0.786667
329 FDA 0.443548 0.809524
330 PUA 0.443478 0.858974
331 ODP 0.441441 0.883117
332 6FA 0.44 0.817073
333 103 0.439024 0.861111
334 RP1 0.439024 0.864865
335 SP1 0.439024 0.864865
336 3NZ 0.438776 0.779221
337 A C A C 0.438596 0.846154
338 7DT 0.438202 0.957143
339 NDP 0.436364 0.894737
340 NPW 0.436364 0.860759
341 MTP 0.434211 0.727273
342 FAS 0.433071 0.82716
343 SFD 0.433071 0.712766
344 FAD 0.433071 0.82716
345 IRN 0.432432 0.867647
346 ZZB 0.432432 0.792683
347 TXP 0.432432 0.894737
348 NZQ 0.432432 0.883117
349 62F 0.430769 0.8375
350 FNK 0.430769 0.781609
351 128 0.429907 0.752941
352 1DA 0.428571 0.842857
353 6MD 0.428571 0.805556
354 PAX 0.428571 0.82716
355 SLU 0.426087 0.767442
356 XNP 0.424779 0.848101
357 12D 0.424528 0.761905
358 5F1 0.423077 0.72973
359 ETB 0.422414 0.809524
360 DCA 0.422414 0.8
361 F0P 0.422018 0.725
362 WMP 0.421053 0.864865
363 GUO 0.421053 0.864865
364 FAY 0.416667 0.8375
365 38Y 0.415929 0.804878
366 5J9 0.415842 0.728395
367 COA 0.415254 0.8
368 0T1 0.415254 0.8
369 KH3 0.415094 0.690476
370 U A C C 0.413793 0.857143
371 N01 0.413793 0.90411
372 FMP 0.413793 0.871429
373 RFL 0.413534 0.797619
374 NMN AMP PO4 0.412281 0.868421
375 GP2 0.408602 0.858974
376 GDP 0.408602 0.893333
377 NAP 0.408333 0.944444
378 NOC 0.407895 0.760563
379 2ER 0.405941 0.831169
380 1PR 0.405941 0.820513
381 P5F 0.405797 0.8
382 CAO 0.404959 0.772727
383 TAP 0.404959 0.906667
384 30N 0.404959 0.731183
385 COS 0.404959 0.781609
386 AMX 0.404959 0.809524
387 XMP 0.402299 0.891892
388 G2P 0.402062 0.858974
389 APC G U 0.401709 0.833333
390 U A A U 0.401639 0.906667
391 CMX 0.401639 0.8
392 NA0 0.401639 0.931507
393 SCO 0.401639 0.8
394 9JJ 0.40146 0.8375
395 F2N 0.4 0.790698
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: 71
This union binding pocket(no: 1) in the query (biounit: 5mst.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 5WJ6 B4A 0.927644
2 5VKM GAL SIA 1.54321
3 1RY2 AMP 2.41327
4 5KOD AMP 2.45098
5 5EY9 5SV 2.54372
6 6C92 EGV 2.65957
7 6E1Q CFA 2.68908
8 4GAH 0ET 2.87081
9 4GN8 ASO 3.01003
10 3O2K QRP 3.16456
11 3F5A SIA GAL NAG 4.06504
12 4RKK GLC GLC GLC GLC GLC GLC 4.21687
13 4RLQ 3SK 4.23892
14 5HM3 649 4.87062
15 2CBZ ATP 5.48523
16 4DG8 AMP 5.64516
17 1HV6 MAW MAV GCU 5.69801
18 3KXW 1ZZ 5.9322
19 2CJU PHX 6.61157
20 5A9A UTP 7.81893
21 2GUD MAN 8.19672
22 2GUC MAN 8.19672
23 2HYQ MAN MAN 8.19672
24 2NUO BGC 8.19672
25 4EPM AMP 8.77797
26 4B2G V1N 9.0312
27 4OXI GAP 9.89583
28 4EPL JAI 10.4991
29 6AM8 TRP 10.6061
30 1F9V ADP 10.6628
31 3CT5 NAG NAG NAG 11.9497
32 1PG4 PRX 12.4233
33 1PG4 COA 12.4233
34 6F5W KG1 12.4661
35 2Y4O DLL 13.3183
36 5D6J ATP 13.5135
37 1MDB AMP DBH 14.2857
38 3CF6 SP1 17.3653
39 4R0M FA5 18.507
40 3C5E ATP 19.2982
41 3IVV ASP GLU VAL THR SER THR THR SER SER SER 22.7586
42 4GR5 APC 23.1579
43 2V7B BEZ 23.2514
44 5N9X ATP 23.8185
45 5N9X 8QN 23.8185
46 5N9X THR 23.8185
47 2YVJ NAI 23.8532
48 5OE4 3UK 24.0786
49 5IE3 OXD 24.5136
50 5IE3 AMP 24.5136
51 3IES M24 25.0454
52 4D57 ARG AMP 25.4799
53 5N81 8Q2 25.7611
54 1AMU AMP 26.2877
55 5C5H 4YB 26.4901
56 5X8G S0N 26.8041
57 3O84 HTJ 26.8382
58 3E7W AMP 27.2016
59 1V25 ANP 27.3567
60 5WM2 AMP 27.6596
61 5WM2 SAL 27.6596
62 3DHV DAL AMP 28.3203
63 3NYQ AMP 30.099
64 3NYQ MCA 30.099
65 5BSR AMP 30.2583
66 5BSR COA 30.2583
67 3CW9 AMP 31.9444
68 3CW9 01A 31.9444
69 2D1S SLU 34.1241
70 4GXQ ATP 37.9447
71 4FUT ATP 39.165
Pocket No.: 2; Query (leader) PDB : 5MST; Ligand: AMP; Similar sites found with APoc: 66
This union binding pocket(no: 2) in the query (biounit: 5mst.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 5WJ6 B4A 0.927644
2 2WPF FAD 1.61616
3 2WPF WPF 1.61616
4 3E1T FAD 1.93603
5 5J5Z FAD 2.21774
6 1RY2 AMP 2.41327
7 5KOD AMP 2.45098
8 5EY9 5SV 2.54372
9 5JCM NAD 3.54767
10 5JCM FAD 3.54767
11 5JCM ISD 3.54767
12 3F5A SIA GAL NAG 4.06504
13 4RLQ 3SK 4.23892
14 4ODV GP1 Z9M 4.65116
15 5HM3 649 4.87062
16 4DG8 AMP 5.64516
17 3KXW 1ZZ 5.9322
18 1RYI FAD 6.02094
19 1RYI GOA 6.02094
20 3CYQ AMU 6.52174
21 2CJU PHX 6.61157
22 5BUK FAD 6.88889
23 5A9A UTP 7.81893
24 4EPM AMP 8.77797
25 4B2G V1N 9.0312
26 4OXI GAP 9.89583
27 6AM8 TRP 10.6061
28 3CT5 NAG NAG NAG 11.9497
29 5BVA FAD 11.9804
30 1PG4 PRX 12.4233
31 1PG4 COA 12.4233
32 2Y4O DLL 13.3183
33 5D6J ATP 13.5135
34 1MDB AMP DBH 14.2857
35 4R0M FA5 18.507
36 3C5E ATP 19.2982
37 4GR5 APC 23.1579
38 2V7B BEZ 23.2514
39 5N9X ATP 23.8185
40 5N9X 8QN 23.8185
41 5N9X THR 23.8185
42 2YVJ NAI 23.8532
43 5OE4 3UK 24.0786
44 5IE3 OXD 24.5136
45 5IE3 AMP 24.5136
46 3IES M24 25.0454
47 4D57 ARG AMP 25.4799
48 5N81 8Q2 25.7611
49 1AMU AMP 26.2877
50 5C5H 4YB 26.4901
51 5X8G S0N 26.8041
52 3O84 HTJ 26.8382
53 3E7W AMP 27.2016
54 1V25 ANP 27.3567
55 5WM2 AMP 27.6596
56 5WM2 SAL 27.6596
57 3DHV DAL AMP 28.3203
58 3NYQ AMP 30.099
59 3NYQ MCA 30.099
60 5BSR COA 30.2583
61 5BSR AMP 30.2583
62 3CW9 AMP 31.9444
63 3CW9 01A 31.9444
64 2D1S SLU 34.1241
65 4GXQ ATP 37.9447
66 4FUT ATP 39.165
Pocket No.: 3; Query (leader) PDB : 5MST; Ligand: AMP; Similar sites found with APoc: 52
This union binding pocket(no: 3) in the query (biounit: 5mst.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 1PN0 IPH 1.35338
2 1PN0 FAD 1.35338
3 1XF1 CIT 1.61987
4 5UAO FAD 1.84843
5 2Y6Q FAD 2.01005
6 5BRE 4UZ 2.09974
7 5FJJ MAN 2.25653
8 2YVF NAD 2.45098
9 1QO8 FAD 2.65018
10 1OFD AKG 2.6936
11 5OJY CIT 2.75591
12 2QXL ATP 2.88754
13 4J36 FAD 2.89157
14 4J36 1HR 2.89157
15 4NTC FAD 2.98507
16 3VZS CAA 3.11284
17 5N0J FAD 3.1339
18 2WOX NDP 3.27198
19 5OF1 SAL 3.33333
20 3FG2 FAD 3.46535
21 2W68 SIA GAL BGC 3.58974
22 2RH4 EMO 3.61011
23 4XTX 590 3.7037
24 2R4J 13P 3.79242
25 2R4J FAD 3.79242
26 5JWC FAD 3.83877
27 2FR1 NDP 3.90947
28 2ZXI FAD 3.92465
29 1D4D FAD 4.02098
30 2ED4 FAD 4.02685
31 1Q9I TEO 4.02802
32 1Q9I FAD 4.02802
33 2CDU FAD 4.20354
34 5MIT FAD 4.28135
35 5MIT NAP 4.28135
36 3BIB PSF 4.31034
37 4TXI FAD 4.39024
38 5WGR FAD 4.64768
39 3NTD FAD 4.77876
40 5UI2 SUC 5.04732
41 3AB1 FAD 5.27778
42 1PS9 FAD 5.36513
43 5TWB FAD 5.81395
44 4YSX FAD 8.33333
45 6GAS FAD 8.45921
46 2E5V FAD 8.68644
47 5ECP JAA 10.6087
48 5ECP MET 10.6087
49 5ECP ATP 10.6087
50 4OPC PGT 15.011
51 4OPC FDA 15.011
52 4CNK FAD 22.5064
Pocket No.: 4; Query (leader) PDB : 5MST; Ligand: FUM; Similar sites found with APoc: 62
This union binding pocket(no: 4) in the query (biounit: 5mst.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 5O0Z 9GB None
2 2YB9 HA0 1.2931
3 4LGY ADP 1.59933
4 2I7N ACO 1.66667
5 3ITJ FAD 1.77515
6 4PQG UDP 2.15264
7 2H8H H8H 2.42991
8 5JGA 6KC 2.53968
9 4YJI TYL 2.62626
10 5EH0 5NW 2.71318
11 6APL C5P 2.94118
12 3VZS NAP 3.11284
13 4X7R UDP 3.24544
14 4X7R NTO 3.24544
15 2OFV 242 3.2491
16 5O96 SAM 3.26531
17 2XVD AS6 3.31126
18 1E1O LYS 3.37302
19 4BR5 ANP 3.50109
20 6GIN IR2 3.65448
21 5HES 032 3.90879
22 3NBC LAT 4.05405
23 3E7O 35F 4.16667
24 3VHE 42Q 4.45682
25 5H4S RAM 4.57746
26 4J4H NAI 4.6332
27 4J4H 1J1 4.6332
28 4JK3 NAD 4.6332
29 5TVF CGQ 4.70588
30 5AE2 FAD 5.31915
31 5AE2 FYC 5.31915
32 5N87 N66 6.07029
33 2VAP GDP 6.59341
34 2HK5 1BM 6.66667
35 4TXJ THM 6.75676
36 5HCY 60D 6.94864
37 3RJ5 NAD 7.08661
38 2I8T GDD 7.18563
39 5F3I 5UJ 7.22222
40 3GC8 B45 7.56757
41 2AG4 LP3 7.92683
42 2AG4 OLA 7.92683
43 1ME8 RVP 7.95229
44 1G0N NDP 8.83392
45 5NC1 NAG 8.86076
46 2WSB NAD 9.44882
47 1VJY 460 9.57096
48 1IYE PGU 9.70874
49 4FGC PQ0 10.303
50 5ECP JAA 10.6087
51 5ECP MET 10.6087
52 5ECP ATP 10.6087
53 1PVN MZP 10.6383
54 5EIB GTP 10.6509
55 3NKV GNP 11.4286
56 1ZHS NAG NAG BMA MAN MAN 11.5044
57 5FPE 3TR 11.8863
58 4PO2 ASN ARG LEU LEU LEU THR GLY 11.9149
59 2C6Q NDP 12.5356
60 1U7T TDT 13.0268
61 3TTI KBI 13.7931
62 1I7M CG 38.806
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