-->
Receptor
PDB id Resolution Class Description Source Keywords
3QMN 1.85 Å EC: 2.7.8.7 CRYSTAL STRUCTURE OF 4'-PHOSPHOPANTETHEINYL TRANSFERASE ACPS VIBRIO CHOLERAE O1 BIOVAR ELTOR VIBRIO CHOLERAE O1 BIOVAR EL TOR STRUCTURAL GENOMICS CENTER FOR STRUCTURAL GENOMICS OF INFECDISEASES CSGID ALPHA-BETA SANDWICH TRANSFERASE ACYL CARPROTEIN CYTOSOL
Ref.: STRUCTURAL CHARACTERIZATION AND COMPARISON OF THREE ACYL-CARRIER-PROTEIN SYNTHASES FROM PATHOGENIC BACT ACTA CRYSTALLOGR.,SECT.D V. 68 1359 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
A3P O:2575;
Valid;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
ACT A:2597;
C:2598;
E:2594;
K:2563;
K:629;
R:2595;
T:2568;
W:2596;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
CA A:2514;
A:2552;
B:2515;
B:2551;
C:2513;
C:2553;
D:2517;
D:2540;
E:2519;
E:2554;
F:2516;
F:2518;
G:2520;
G:2523;
H:2522;
H:2524;
I:2521;
I:2525;
J:2527;
J:2542;
K:2529;
K:569;
L:2526;
L:2528;
M:2530;
M:2533;
N:2532;
O:2531;
P:1426;
P:2534;
Q:2535;
Q:2536;
R:1607;
R:2512;
S:2538;
S:2539;
T:1792;
T:2545;
U:2537;
U:2546;
V:2547;
V:2557;
W:2548;
W:2549;
X:2550;
X:2556;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
CL A:128;
C:2558;
E:2591;
G:2574;
J:2541;
L:2543;
M:2555;
P:2544;
T:2592;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
35.453 Cl [Cl-]
COA A:127;
A:129;
C:169;
D:283;
E:387;
F:477;
G:570;
H:630;
I:699;
J:780;
K:900;
L:1008;
N:1221;
N:1333;
O:1127;
P:1424;
Q:1515;
R:1606;
S:1696;
T:1791;
U:1854;
W:2019;
W:2105;
X:1944;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
767.534 C21 H36 N7 O16 P3 S CC(C)...
MPD A:2570;
B:127;
C:2571;
E:2560;
G:571;
H:631;
I:2561;
M:2572;
O:1334;
P:1425;
Q:2567;
R:2566;
S:1697;
U:1698;
V:1945;
W:2106;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
118.174 C6 H14 O2 C[C@@...
MRD D:2573;
F:2559;
K:2564;
L:2562;
N:2565;
T:2569;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
118.174 C6 H14 O2 C[C@H...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3QMN 1.85 Å EC: 2.7.8.7 CRYSTAL STRUCTURE OF 4'-PHOSPHOPANTETHEINYL TRANSFERASE ACPS VIBRIO CHOLERAE O1 BIOVAR ELTOR VIBRIO CHOLERAE O1 BIOVAR EL TOR STRUCTURAL GENOMICS CENTER FOR STRUCTURAL GENOMICS OF INFECDISEASES CSGID ALPHA-BETA SANDWICH TRANSFERASE ACYL CARPROTEIN CYTOSOL
Ref.: STRUCTURAL CHARACTERIZATION AND COMPARISON OF THREE ACYL-CARRIER-PROTEIN SYNTHASES FROM PATHOGENIC BACT ACTA CRYSTALLOGR.,SECT.D V. 68 1359 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 3QMN - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 3QMN - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1FTH - A3P C10 H15 N5 O10 P2 c1nc(c2c(n....
2 3QMN - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
3 1F7L - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
4 3HYK - A3P C10 H15 N5 O10 P2 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: A3P; Similar ligands found: 402
No: Ligand ECFP6 Tc MDL keys Tc
1 A3P 1 1
2 PAP 0.835616 0.985507
3 PPS 0.802632 0.871795
4 3AM 0.794118 0.956522
5 AMP 0.684932 0.971014
6 A 0.684932 0.971014
7 A2P 0.684211 0.985294
8 7D5 0.666667 0.902778
9 2AM 0.635135 0.942857
10 A A A 0.611111 0.90411
11 ATR 0.595238 0.971014
12 ABM 0.594937 0.916667
13 A2D 0.594937 0.943662
14 ADP 0.592593 0.971429
15 SRA 0.589744 0.917808
16 A A 0.586957 0.943662
17 ADN 0.585714 0.816901
18 RAB 0.585714 0.816901
19 XYA 0.585714 0.816901
20 AN2 0.585366 0.957747
21 A22 0.58427 0.957747
22 PUA 0.583333 0.883117
23 0WD 0.580952 0.894737
24 AP2 0.580247 0.931507
25 BA3 0.580247 0.943662
26 A12 0.580247 0.931507
27 ATP A A A 0.578947 0.929577
28 25A 0.577778 0.971429
29 SAP 0.576471 0.918919
30 AGS 0.576471 0.918919
31 AP5 0.573171 0.943662
32 B4P 0.573171 0.943662
33 ATP 0.571429 0.971429
34 HEJ 0.571429 0.971429
35 OVE 0.56962 0.90411
36 7D3 0.567901 0.90411
37 AT4 0.566265 0.931507
38 AQP 0.564706 0.971429
39 2A5 0.564706 0.917808
40 APC 0.564706 0.931507
41 5FA 0.564706 0.971429
42 V3L 0.563218 0.971429
43 APU 0.563107 0.918919
44 PAX 0.5625 0.85
45 DCA 0.559633 0.8
46 ETB 0.559633 0.809524
47 CA0 0.559524 0.917808
48 AU1 0.559524 0.944444
49 M33 0.559524 0.930556
50 ADX 0.559524 0.848101
51 A2R 0.555556 0.957747
52 ACP 0.552941 0.944444
53 50T 0.552941 0.930556
54 COA 0.54955 0.8
55 0T1 0.54955 0.8
56 AR6 0.546512 0.943662
57 PRX 0.546512 0.891892
58 APR 0.546512 0.943662
59 ACQ 0.545455 0.944444
60 TAT 0.545455 0.931507
61 T99 0.545455 0.931507
62 DA 0.54321 0.902778
63 D5M 0.54321 0.902778
64 7D4 0.541176 0.90411
65 AD9 0.54023 0.944444
66 ADV 0.54023 0.905405
67 RBY 0.54023 0.905405
68 ADQ 0.537634 0.917808
69 30N 0.535088 0.731183
70 COS 0.535088 0.781609
71 CAO 0.535088 0.772727
72 AMX 0.535088 0.809524
73 CMX 0.530435 0.8
74 SCO 0.530435 0.8
75 SON 0.529412 0.931507
76 ANP 0.52809 0.944444
77 GAP 0.52809 0.891892
78 7D7 0.527778 0.763889
79 6YZ 0.527473 0.944444
80 5N5 0.527027 0.791667
81 OOB 0.526882 0.930556
82 NA7 0.526316 0.931507
83 ACO 0.525862 0.772727
84 FCX 0.525862 0.772727
85 FAM 0.525862 0.781609
86 ADP PO3 0.522727 0.942857
87 5AL 0.522222 0.930556
88 HAX 0.521368 0.781609
89 5CD 0.52 0.802817
90 A4D 0.52 0.791667
91 LMS 0.518519 0.825
92 3KK 0.516949 0.781609
93 FYN 0.516949 0.8
94 ATF 0.516484 0.931507
95 00A 0.515789 0.881579
96 DLL 0.515789 0.930556
97 DTA 0.512821 0.783784
98 SOP 0.512605 0.781609
99 OXK 0.512605 0.781609
100 CA6 0.512605 0.708333
101 COK 0.512605 0.781609
102 MCD 0.512605 0.781609
103 VO4 ADP 0.51087 0.930556
104 ADP VO4 0.51087 0.930556
105 SRP 0.51087 0.905405
106 9ZD 0.510638 0.906667
107 9ZA 0.510638 0.906667
108 ADP BMA 0.510417 0.891892
109 25L 0.510204 0.957747
110 G A A A 0.509091 0.87013
111 A C A C 0.508929 0.846154
112 1VU 0.508333 0.772727
113 NMX 0.508333 0.73913
114 CO6 0.508333 0.781609
115 CMC 0.508333 0.781609
116 MTA 0.506329 0.77027
117 A3G 0.506024 0.773333
118 PAJ 0.505263 0.858974
119 A U 0.504673 0.868421
120 2MC 0.504132 0.747253
121 CAJ 0.504132 0.781609
122 SCD 0.504132 0.8
123 EP4 0.5 0.75
124 3OD 0.5 0.917808
125 BCO 0.5 0.781609
126 IVC 0.5 0.790698
127 ADP ALF 0.5 0.868421
128 A1S 0.5 0.781609
129 ALF ADP 0.5 0.868421
130 3HC 0.5 0.790698
131 MLC 0.5 0.781609
132 FYA 0.5 0.90411
133 1HE 0.5 0.764045
134 PTJ 0.5 0.894737
135 MAP 0.5 0.918919
136 COO 0.495935 0.781609
137 MCA 0.495935 0.772727
138 CAA 0.495935 0.790698
139 YE1 0.495935 0.790698
140 U A C C 0.495575 0.857143
141 A G 0.495495 0.881579
142 3UK 0.494845 0.917808
143 9X8 0.494845 0.893333
144 OAD 0.494845 0.917808
145 5SV 0.494737 0.846154
146 8QN 0.494737 0.930556
147 101 0.493976 0.902778
148 6RE 0.493976 0.75641
149 3DH 0.493827 0.77027
150 M2T 0.493671 0.730769
151 5AD 0.493151 0.742857
152 MC4 0.491935 0.73913
153 SCA 0.491935 0.781609
154 2CP 0.491935 0.772727
155 U A G G 0.491071 0.881579
156 WAQ 0.489796 0.881579
157 B5V 0.489796 0.905405
158 4AD 0.489583 0.893333
159 AMO 0.489583 0.905405
160 A3R 0.489583 0.881579
161 A1R 0.489583 0.881579
162 AOC 0.488095 0.819444
163 COW 0.488 0.772727
164 CA8 0.488 0.708333
165 3CP 0.488 0.781609
166 HGG 0.488 0.781609
167 2KQ 0.488 0.764045
168 COF 0.488 0.764045
169 BYC 0.488 0.781609
170 IRC 0.488 0.790698
171 1GZ 0.488 0.772727
172 Y3J 0.486842 0.722222
173 B5Y 0.485149 0.893333
174 FA5 0.485149 0.905405
175 1ZZ 0.484848 0.8375
176 AHX 0.484536 0.87013
177 DAL AMP 0.484211 0.90411
178 4CA 0.484127 0.772727
179 FAQ 0.484127 0.781609
180 BCA 0.484127 0.772727
181 AV2 0.483871 0.916667
182 DAT 0.483146 0.90411
183 5X8 0.483146 0.76
184 5AS 0.482759 0.776471
185 APC G U 0.482456 0.857143
186 ANZ 0.480769 0.820513
187 3AD 0.480519 0.828571
188 GRA 0.480315 0.781609
189 HXC 0.480315 0.764045
190 3AT 0.478261 0.971429
191 A3S 0.477273 0.783784
192 TGC 0.476562 0.772727
193 9SN 0.475248 0.87013
194 LAD 0.474747 0.858974
195 PR8 0.474747 0.848101
196 S0N 0.472868 0.781609
197 2NE 0.472868 0.764045
198 CIC 0.472868 0.781609
199 CCQ 0.472868 0.747253
200 1CZ 0.472868 0.772727
201 CO8 0.472868 0.764045
202 A5D 0.472527 0.783784
203 DSH 0.470588 0.721519
204 YAP 0.470588 0.893333
205 B5M 0.470588 0.893333
206 NB8 0.47 0.87013
207 TXA 0.47 0.905405
208 ME8 0.47 0.8375
209 BIS 0.47 0.906667
210 0FQ 0.469231 0.781609
211 4CO 0.469231 0.772727
212 DCC 0.469231 0.764045
213 UCC 0.469231 0.764045
214 MYA 0.469231 0.764045
215 MFK 0.469231 0.764045
216 5F9 0.469231 0.764045
217 ST9 0.469231 0.764045
218 A3T 0.466667 0.794521
219 U A A U 0.466667 0.906667
220 01A 0.465649 0.747253
221 0ET 0.465649 0.764045
222 TM1 0.465347 0.792683
223 AS 0.465116 0.855263
224 IMO 0.465116 0.928571
225 J7C 0.465116 0.766234
226 PO4 PO4 A A A A PO4 0.464646 0.928571
227 ZAS 0.464286 0.763158
228 DTP 0.462366 0.90411
229 DQV 0.462264 0.930556
230 CS8 0.462121 0.755556
231 WCA 0.462121 0.764045
232 1CV 0.462121 0.781609
233 4UV 0.461538 0.893333
234 NJP 0.460177 0.918919
235 S4M 0.45977 0.662791
236 HDC 0.458647 0.764045
237 NHW 0.458647 0.764045
238 4KX 0.458647 0.755556
239 NHM 0.458647 0.764045
240 UOQ 0.458647 0.764045
241 LAQ 0.457944 0.8375
242 JB6 0.455446 0.881579
243 NPW 0.455357 0.860759
244 NDP 0.455357 0.894737
245 HFQ 0.455224 0.764045
246 MRR 0.455224 0.764045
247 MRS 0.455224 0.764045
248 MAO 0.454545 0.756098
249 UPA 0.454545 0.881579
250 GGZ 0.453608 0.822785
251 NEC 0.453488 0.72
252 4UU 0.45283 0.893333
253 AFH 0.45283 0.858974
254 NHQ 0.452555 0.790698
255 XAH 0.451923 0.8375
256 YNC 0.451852 0.772727
257 DAK 0.451852 0.755556
258 G5A 0.451613 0.776471
259 SAH 0.451613 0.74026
260 MYR AMP 0.45098 0.814815
261 SFG 0.450549 0.746667
262 2VA 0.450549 0.773333
263 4UW 0.449541 0.858974
264 8Z2 0.448529 0.755556
265 A3N 0.448276 0.76
266 A U C C 0.448 0.846154
267 V1N 0.447619 0.916667
268 AMP DBH 0.447619 0.866667
269 TYR AMP 0.447619 0.868421
270 103 0.447059 0.861111
271 ACK 0.447059 0.885714
272 QQY 0.447059 0.837838
273 3NZ 0.445545 0.75641
274 TYM 0.445455 0.905405
275 A G U 0.445312 0.8375
276 A7D 0.444444 0.773333
277 XNP 0.443478 0.871795
278 G3A 0.443396 0.894737
279 GJV 0.443182 0.746835
280 9K8 0.441176 0.711111
281 SA8 0.44086 0.703704
282 NVA 2AD 0.44086 0.734177
283 YLP 0.440367 0.817073
284 48N 0.440367 0.87013
285 WMP 0.439655 0.864865
286 AR6 AR6 0.439252 0.916667
287 G5P 0.439252 0.894737
288 GA7 0.439252 0.88
289 D3Y 0.438776 0.763158
290 G3D 0.438776 0.905405
291 TSB 0.438776 0.795181
292 NZQ 0.438596 0.883117
293 TXP 0.438596 0.894737
294 ZZB 0.438596 0.792683
295 A5A 0.4375 0.804878
296 DND 0.436364 0.905405
297 NXX 0.436364 0.905405
298 NAX 0.436364 0.848101
299 NAI 0.436364 0.881579
300 UP5 0.436364 0.893333
301 VRT 0.43617 0.74359
302 SO8 0.43617 0.763158
303 SAI 0.43617 0.730769
304 1HA 0.435714 0.764045
305 A6D 0.435644 0.719512
306 QQX 0.435294 0.826667
307 GTA 0.435185 0.860759
308 TAD 0.435185 0.858974
309 ODP 0.434783 0.883117
310 SSA 0.43299 0.776471
311 SMM 0.43299 0.682353
312 01K 0.432624 0.781609
313 OMR 0.432432 0.82716
314 DDS 0.431579 0.876712
315 139 0.429825 0.848101
316 COT 0.429577 0.781609
317 F8G 0.429577 0.731183
318 A G U U 0.428571 0.8375
319 54H 0.428571 0.785714
320 52H 0.428571 0.776471
321 CC5 0.428571 0.814286
322 AP0 0.428571 0.87013
323 4TC 0.428571 0.87013
324 VMS 0.428571 0.785714
325 DZD 0.42735 0.858974
326 LPA AMP 0.427273 0.814815
327 EEM 0.427083 0.686747
328 AAT 0.427083 0.703704
329 ARG AMP 0.425926 0.82716
330 7MD 0.425926 0.8375
331 3L1 0.425 0.77027
332 3D1 0.425 0.77027
333 53H 0.424242 0.776471
334 5CA 0.424242 0.776471
335 8X1 0.424242 0.75
336 MHZ 0.423913 0.694118
337 CA3 0.423611 0.781609
338 TXD 0.423423 0.881579
339 6V0 0.423423 0.87013
340 1DG 0.422764 0.894737
341 DG1 0.422764 0.894737
342 TAP 0.422764 0.906667
343 38Y 0.422414 0.804878
344 IOT 0.421053 0.829268
345 U A 0.420168 0.906667
346 TXE 0.419643 0.881579
347 S7M 0.418367 0.686747
348 AHZ 0.418182 0.814815
349 P5A 0.417476 0.741573
350 T5A 0.417391 0.817073
351 SAM 0.416667 0.686747
352 YLC 0.415929 0.8375
353 YLB 0.415929 0.817073
354 F0P 0.415929 0.725
355 7MC 0.415929 0.817073
356 CPA 0.415929 0.825
357 DSZ 0.415842 0.776471
358 NSS 0.415842 0.776471
359 LSS 0.415842 0.758621
360 AAM 0.41573 0.971014
361 8PZ 0.415094 0.776471
362 NAP 0.414634 0.944444
363 SP1 0.413793 0.864865
364 RP1 0.413793 0.864865
365 CNA 0.413793 0.905405
366 A4P 0.412281 0.819277
367 NVA LMS 0.411765 0.75
368 YSA 0.411215 0.776471
369 8BR 0.411111 0.905405
370 F2R 0.410256 0.839506
371 5J9 0.409524 0.728395
372 CA5 0.409396 0.747253
373 ITT 0.408602 0.915493
374 NA0 0.408 0.931507
375 LEU LMS 0.407767 0.75
376 HMG 0.407407 0.75
377 AF3 ADP 3PG 0.40708 0.835443
378 NAD 0.40678 0.930556
379 COD 0.40678 0.788235
380 93P 0.406667 0.772727
381 UCA 0.406667 0.764045
382 CMP 0.406593 0.927536
383 71V 0.406593 0.881579
384 2BA 0.406593 0.942029
385 6C6 0.40625 0.88
386 GEK 0.405941 0.734177
387 12D 0.405405 0.783133
388 ADJ 0.405172 0.82716
389 YLA 0.405172 0.817073
390 KAA 0.403846 0.75
391 GSU 0.403846 0.776471
392 BT5 0.403361 0.829268
393 3GP 0.402174 0.891892
394 6IA 0.402062 0.835443
395 0UM 0.401961 0.695122
396 AYB 0.401709 0.807229
397 M24 0.401639 0.848101
398 PLM COA 0.40146 0.733333
399 COA PLM 0.40146 0.733333
400 80F 0.4 0.817073
401 J7V 0.4 0.809524
402 A3D 0.4 0.917808
Ligand no: 2; Ligand: COA; Similar ligands found: 211
No: Ligand ECFP6 Tc MDL keys Tc
1 COA 1 1
2 0T1 0.894737 0.976744
3 DCA 0.893805 0.954023
4 COS 0.887931 0.977012
5 ETB 0.877193 0.920455
6 AMX 0.871795 0.988235
7 30N 0.871795 0.913979
8 CAO 0.871795 0.965909
9 CMX 0.864407 0.976744
10 SCO 0.864407 0.976744
11 ACO 0.857143 0.965909
12 FCX 0.857143 0.94382
13 FAM 0.857143 0.954545
14 HAX 0.85 0.954545
15 3KK 0.842975 0.977012
16 FYN 0.842975 1
17 SOP 0.836066 0.977012
18 MCD 0.836066 0.954545
19 OXK 0.836066 0.977012
20 CA6 0.836066 0.885417
21 COK 0.836066 0.977012
22 CO6 0.829268 0.977012
23 NMX 0.829268 0.903226
24 1VU 0.829268 0.965909
25 CMC 0.829268 0.977012
26 CAJ 0.822581 0.954545
27 SCD 0.822581 0.976744
28 2MC 0.822581 0.934066
29 2CP 0.81746 0.965909
30 A1S 0.816 0.977012
31 3HC 0.816 0.988372
32 IVC 0.816 0.988372
33 1HE 0.816 0.955056
34 MLC 0.816 0.977012
35 BCO 0.816 0.977012
36 COD 0.810345 0.988235
37 COO 0.809524 0.977012
38 MCA 0.809524 0.965909
39 CAA 0.809524 0.988372
40 YE1 0.809524 0.965517
41 MC4 0.80315 0.923913
42 SCA 0.80315 0.977012
43 CA8 0.796875 0.885417
44 COF 0.796875 0.955056
45 BYC 0.796875 0.977012
46 COW 0.796875 0.965909
47 3CP 0.796875 0.977012
48 IRC 0.796875 0.988372
49 1GZ 0.796875 0.965909
50 HGG 0.796875 0.977012
51 2KQ 0.796875 0.955056
52 BCA 0.790698 0.965909
53 4CA 0.790698 0.965909
54 FAQ 0.790698 0.977012
55 HXC 0.784615 0.955056
56 GRA 0.784615 0.977012
57 1CV 0.781955 0.977012
58 TGC 0.778626 0.965909
59 2NE 0.772727 0.955056
60 1CZ 0.772727 0.965909
61 CO8 0.772727 0.955056
62 S0N 0.772727 0.954545
63 CIC 0.772727 0.977012
64 DCC 0.766917 0.955056
65 UCC 0.766917 0.955056
66 0FQ 0.766917 0.977012
67 MYA 0.766917 0.955056
68 ST9 0.766917 0.955056
69 4CO 0.766917 0.965909
70 5F9 0.766917 0.955056
71 MFK 0.766917 0.955056
72 01A 0.761194 0.934066
73 0ET 0.761194 0.955056
74 WCA 0.755556 0.955056
75 CS8 0.755556 0.944444
76 UOQ 0.75 0.955056
77 NHW 0.75 0.955056
78 NHM 0.75 0.955056
79 4KX 0.75 0.944444
80 HDC 0.75 0.955056
81 MRR 0.744526 0.955056
82 MRS 0.744526 0.955056
83 HFQ 0.744526 0.955056
84 YNC 0.73913 0.965909
85 DAK 0.73913 0.944444
86 8Z2 0.733813 0.944444
87 NHQ 0.723404 0.988372
88 F8G 0.715278 0.913979
89 1HA 0.713287 0.955056
90 01K 0.708333 0.977012
91 COT 0.703448 0.977012
92 CCQ 0.695652 0.934066
93 CA3 0.693878 0.977012
94 7L1 0.692308 0.965909
95 CA5 0.671053 0.934066
96 UCA 0.666667 0.955056
97 93P 0.666667 0.965909
98 CO7 0.664234 0.977012
99 93M 0.64557 0.965909
100 OXT 0.634146 0.913979
101 5TW 0.607143 0.913979
102 4BN 0.607143 0.913979
103 PAP 0.603604 0.811765
104 JBT 0.598837 0.894737
105 BSJ 0.592814 0.944444
106 HMG 0.581081 0.943182
107 COA PLM 0.573333 0.922222
108 PLM COA 0.573333 0.922222
109 A3P 0.54955 0.8
110 PPS 0.547009 0.752688
111 ASP ASP ASP ILE CMC NH2 0.536585 0.932584
112 0WD 0.521739 0.788889
113 SFC 0.490683 0.955056
114 RFC 0.490683 0.955056
115 191 0.490196 0.865979
116 ACE SER ASP ALY THR NH2 COA 0.483333 0.932584
117 3AM 0.482143 0.788235
118 PTJ 0.48062 0.872093
119 4PS 0.477477 0.682353
120 A22 0.468254 0.813953
121 A2D 0.465517 0.802326
122 PUA 0.462585 0.820225
123 PAJ 0.460938 0.883721
124 ATR 0.459016 0.8
125 SAP 0.459016 0.806818
126 AGS 0.459016 0.806818
127 3OD 0.458015 0.825581
128 ADP 0.453782 0.823529
129 A2R 0.448819 0.813953
130 BA3 0.445378 0.802326
131 OAD 0.442748 0.825581
132 NA7 0.442748 0.858824
133 ATP 0.442623 0.823529
134 HEJ 0.442623 0.823529
135 AP5 0.441667 0.802326
136 B4P 0.441667 0.802326
137 AR6 0.439024 0.802326
138 APR 0.439024 0.802326
139 2A5 0.439024 0.847059
140 5FA 0.439024 0.823529
141 AQP 0.439024 0.823529
142 AN2 0.438017 0.813953
143 AT4 0.438017 0.816092
144 48N 0.435714 0.808989
145 M33 0.434426 0.813953
146 9X8 0.431818 0.806818
147 SRP 0.429688 0.837209
148 ANP 0.428571 0.804598
149 ADQ 0.427481 0.804598
150 YLB 0.426573 0.908046
151 YLP 0.425532 0.886364
152 5AL 0.425197 0.813953
153 7D3 0.425 0.793103
154 AD9 0.424 0.804598
155 APU 0.423611 0.786517
156 7D4 0.422764 0.793103
157 CA0 0.422764 0.804598
158 25L 0.422222 0.813953
159 ATF 0.421875 0.795455
160 F2R 0.421769 0.865169
161 NJP 0.421769 0.806818
162 A2P 0.421488 0.788235
163 A A A 0.421053 0.813953
164 8QN 0.419847 0.813953
165 PNS 0.419643 0.682353
166 ACP 0.419355 0.825581
167 NDP 0.417808 0.788889
168 ACQ 0.417323 0.825581
169 A1R 0.416667 0.882353
170 ATP A A A 0.416058 0.770115
171 A 0.415254 0.8
172 AMP 0.415254 0.8
173 1ZZ 0.414815 0.842697
174 NB8 0.414815 0.808989
175 TXA 0.414815 0.816092
176 FYA 0.414815 0.813953
177 DLL 0.413534 0.793103
178 00A 0.413534 0.758242
179 AHX 0.413534 0.829545
180 PAX 0.412903 0.793478
181 DQV 0.411348 0.813953
182 OMR 0.409722 0.853933
183 9ZD 0.409091 0.818182
184 25A 0.409091 0.802326
185 OOB 0.409091 0.793103
186 9ZA 0.409091 0.818182
187 NPW 0.408163 0.822222
188 6YZ 0.407692 0.825581
189 A A 0.407407 0.781609
190 WAQ 0.407407 0.860465
191 TAT 0.40625 0.816092
192 T99 0.40625 0.816092
193 AMO 0.406015 0.837209
194 4AD 0.406015 0.827586
195 A3R 0.406015 0.882353
196 FA5 0.405797 0.816092
197 YAP 0.405797 0.806818
198 B5Y 0.405797 0.786517
199 TXP 0.405405 0.829545
200 ABM 0.404959 0.781609
201 PRX 0.404762 0.825581
202 ME8 0.404412 0.842697
203 BIS 0.404412 0.818182
204 AFH 0.404255 0.78022
205 J7V 0.403846 0.778947
206 NAI 0.402778 0.777778
207 ODP 0.402685 0.78022
208 DAL AMP 0.401515 0.793103
209 AU1 0.4 0.804598
210 ADX 0.4 0.752688
211 SRA 0.4 0.784091
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3QMN; Ligand: COA; Similar sites found with APoc: 32
This union binding pocket(no: 1) in the query (biounit: 3qmn.bio5) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 5YRF GLC GLC None
2 3VY6 BGC BGC None
3 5EYW PGA None
4 5T96 79J None
5 2PYY GLU None
6 3NFD COA 2.32558
7 3F8D FAD 2.32558
8 6BVE PGA 2.32558
9 4A59 AMP 3.10078
10 3TAO PGH 3.87597
11 1SW0 PGA 4.65116
12 2YPI PGA 5.42636
13 2BTM PGA 5.42636
14 1QDS PGA 6.20155
15 4KQP GLN 7.75194
16 4YMZ 13P 9.30233
17 1LYX PGA 10.0775
18 4QVH COA 10.8527
19 4YRY FAD 11.6279
20 2NUO BGC 13.1148
21 2GUC MAN 13.1148
22 2NU5 NAG 13.1148
23 2HYR BGC GLC 13.1148
24 1TRD PGH 13.9535
25 3COW 52H 14.7287
26 4MRT COA 15.5039
27 1QR0 COA 15.5039
28 5J5Z FAD 15.5039
29 2C43 COA 16.2791
30 5JCA FAD 20.9302
31 1GTE FAD 21.7054
32 2WAT COA 41.8033
Pocket No.: 2; Query (leader) PDB : 3QMN; Ligand: COA; Similar sites found with APoc: 22
This union binding pocket(no: 2) in the query (biounit: 3qmn.bio5) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 3GF2 SAL None
2 5YRG BGC GLC None
3 4UCC ZKW None
4 3EXS 5RP None
5 4GAH 0ET None
6 5V4R MGT None
7 4DDY DN6 1.55039
8 5LWY OLB 4.65116
9 4Q0A 4OA 4.65116
10 5FPN KYD 4.65116
11 5UC9 MYR 4.65116
12 4RW3 PLM 5.42636
13 6A46 DCM 5.42636
14 2VWA PTY 5.94059
15 3ZUY TCH 6.20155
16 5LV1 78T 6.97674
17 5TCI MLI 8.52713
18 4M52 FAD 10.0775
19 4BI7 PGA 10.8527
20 2GUD MAN 13.1148
21 2HYQ MAN MAN 13.1148
22 3CGD COA 16.2791
Pocket No.: 3; Query (leader) PDB : 3QMN; Ligand: COA; Similar sites found with APoc: 10
This union binding pocket(no: 3) in the query (biounit: 3qmn.bio5) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 5YRI GLC GLC None
2 4DZ1 DAL None
3 6BOC RIM None
4 3E70 GDP 2.32558
5 1V6A TRE 5.42636
6 3B0P FMN 6.20155
7 5AHN IMP 8.52713
8 5LX9 OLB 8.52713
9 5IUY BOG 13.9535
10 4AT0 FAD 23.2558
Pocket No.: 4; Query (leader) PDB : 3QMN; Ligand: A3P; Similar sites found with APoc: 148
This union binding pocket(no: 4) in the query (biounit: 3qmn.bio5) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 5YRI GLC GLC None
2 4USR FAD None
3 2Q7V FAD None
4 3KMT SAH None
5 5GSN FAD None
6 2WK1 SAH None
7 4KOT CE3 None
8 4YNM SAM None
9 5YRL GLC GLC None
10 5T96 79J None
11 4J5R A1R None
12 5EYW PGA None
13 2PYY GLU None
14 5YRM BGC GLC None
15 4GJ3 0XP None
16 5SWB NAG BMA MAN MAN MAN MAN None
17 4R81 FMN None
18 2F1K NAP None
19 5YRJ BGC GLC None
20 4Z4P SAH None
21 3HNA SAH None
22 5FI3 NAP 1.55039
23 3NFD COA 2.32558
24 3F8D FAD 2.32558
25 5AE2 FYC 2.32558
26 5AE2 FAD 2.32558
27 5ZBL AMP 2.32558
28 5NUE NAD 2.32558
29 5T0K SAM 2.32558
30 5NUF NAD 2.32558
31 5JIY SAM 2.32558
32 4NTC FAD 3.10078
33 4A59 AMP 3.10078
34 5NMX FAD 3.87597
35 2XVF FAD 3.87597
36 2Q3O FMN 3.87597
37 3KJS NAP 3.87597
38 6BOX SAH 3.87597
39 1PZ1 NAP 3.87597
40 1O9J NAD 3.87597
41 2FLI DX5 4.65116
42 3GMB FAD 4.65116
43 1V59 FAD 4.65116
44 5J7X FAD 4.65116
45 5EOW FAD 4.65116
46 1SW0 PGA 4.65116
47 4EIL NDP 4.65116
48 3FJG 3PG 4.65116
49 1OYB HBA 4.65116
50 1OYB FMN 4.65116
51 3KRU FMN 5.42636
52 2YPI PGA 5.42636
53 5I34 IMP 5.42636
54 5BRT FAD 5.42636
55 1YNQ NDP 5.42636
56 1LDN NAD 5.42636
57 1ADO 13P 5.42636
58 4KM2 TOP 6.14525
59 4KM2 ATR 6.14525
60 2C6Q IMP 6.20155
61 2C6Q NDP 6.20155
62 5IKB KAI 6.20155
63 2E7Z MGD 6.20155
64 4CZG ADP 6.20155
65 1PFK ADP 6.20155
66 3B0P FMN 6.20155
67 1LOR BMP 6.20155
68 3E1T FAD 6.97674
69 2V2V V12 6.97674
70 1P9B IMO 6.97674
71 5GLN XYP XYP XYP 6.97674
72 5GLN XYS 6.97674
73 3O9P MHI 6.97674
74 1H5T DAU 6.97674
75 1HYE NAP 7.75194
76 2XK9 XK9 7.75194
77 4ZCC FAD 7.75194
78 1T9D PYD 7.75194
79 5D2R 56W 7.75194
80 4KQP GLN 7.75194
81 3KDN CAP 8.52713
82 4Z87 5GP 8.52713
83 4Z0G 5GP 8.52713
84 4JDR FAD 8.52713
85 5X68 FAD 8.52713
86 4USQ FAD 9.30233
87 4K5S FAD 9.30233
88 1M5W DXP 9.30233
89 1ZK4 NAP 9.30233
90 4WZH FMN 9.30233
91 4ITU NAI 9.30233
92 1LYX PGA 10.0775
93 1N62 MCN 10.0775
94 4CW5 FMN 10.0775
95 1FRB ZST 10.0775
96 4QVH COA 10.8527
97 2Y6Q FAD 10.8527
98 2Y6Q I7T 10.8527
99 1IWE IMP 10.8527
100 3VPH NAD 10.8527
101 3VPH OXM 10.8527
102 5TUF FAD 10.8527
103 4YRY FAD 11.6279
104 4YRY NAD 11.6279
105 5V22 SAH 11.6279
106 4FMU 0UM 11.6279
107 5JLB SAH 11.6279
108 6H3O FAD 11.6279
109 2YVJ FAD 11.6279
110 1ICP FMN 11.6279
111 2PV7 NAD 11.6279
112 3VKC FPQ 11.6279
113 3HRD FAD 12.4031
114 2OHH FMN 12.4031
115 4J56 FAD 13.1783
116 2BP1 NDP 13.1783
117 3GBR PRP 13.1783
118 5O4F 8VE 13.1783
119 3RLF ANP 13.1783
120 4UTW RFW 13.1783
121 2C91 NAP 13.9535
122 4ZOH MCN 14.7287
123 1SAZ ACP 14.7287
124 1VYP TNF 14.7287
125 1VYP FMN 14.7287
126 1Q1R FAD 14.7287
127 2ZRU FMN 14.7287
128 4MRT COA 15.5039
129 1QR0 COA 15.5039
130 3LZW FAD 15.5039
131 2C43 COA 16.2791
132 6A5K SAM 16.2791
133 5EVY FAD 16.2791
134 2G5C NAD 17.0543
135 5EFQ ADP 17.0543
136 1TDF FAD 17.8295
137 1XAJ CRB 17.8295
138 1XAJ NAD 17.8295
139 2IV2 MGD 18.6047
140 5JCA FAD 20.9302
141 5JCA NDP 20.9302
142 5AR0 GB8 20.9302
143 4EIP FAD 21.7054
144 4EIP K2C 21.7054
145 1PS9 NAP 22.4806
146 3EUT DCR 24.8062
147 4X9X OLA 25.5814
148 2WAT COA 41.8033
Pocket No.: 5; Query (leader) PDB : 3QMN; Ligand: COA; Similar sites found with APoc: 3
This union binding pocket(no: 5) in the query (biounit: 3qmn.bio3) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 5YRJ BGC GLC None
2 5N26 CPT 9.30233
3 5JVB 2PO 11.6279
Pocket No.: 6; Query (leader) PDB : 3QMN; Ligand: COA; Similar sites found with APoc: 4
This union binding pocket(no: 6) in the query (biounit: 3qmn.bio3) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 5C1M OLC None
2 3FJG 3PG 4.65116
3 5EHS 5OY 13.1783
4 5EHS 2JJ 13.1783
Pocket No.: 7; Query (leader) PDB : 3QMN; Ligand: COA; Similar sites found with APoc: 1
This union binding pocket(no: 7) in the query (biounit: 3qmn.bio3) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 5NM7 GLY 20.155
Pocket No.: 8; Query (leader) PDB : 3QMN; Ligand: COA; Similar sites found with APoc: 1
This union binding pocket(no: 8) in the query (biounit: 3qmn.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 3QDV NDG None
Pocket No.: 9; Query (leader) PDB : 3QMN; Ligand: COA; Similar sites found with APoc: 6
This union binding pocket(no: 9) in the query (biounit: 3qmn.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 5OJI ISN 4.65116
2 5ZDK ATP 5.42636
3 1PFK ADP 6.20155
4 4OGQ 7PH 6.20155
5 5DT6 GLU 6.97674
6 3UWV 2PG 7.75194
Pocket No.: 10; Query (leader) PDB : 3QMN; Ligand: COA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 3qmn.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 3QMN; Ligand: COA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 3qmn.bio7) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 3QMN; Ligand: COA; Similar sites found with APoc: 1
This union binding pocket(no: 12) in the query (biounit: 3qmn.bio7) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 4NAE 1GP 11.6279
Pocket No.: 13; Query (leader) PDB : 3QMN; Ligand: COA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 13) in the query (biounit: 3qmn.bio7) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 14; Query (leader) PDB : 3QMN; Ligand: COA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 14) in the query (biounit: 3qmn.bio6) has 23 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 15; Query (leader) PDB : 3QMN; Ligand: COA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 15) in the query (biounit: 3qmn.bio6) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 16; Query (leader) PDB : 3QMN; Ligand: COA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 16) in the query (biounit: 3qmn.bio6) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 17; Query (leader) PDB : 3QMN; Ligand: COA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 17) in the query (biounit: 3qmn.bio4) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 18; Query (leader) PDB : 3QMN; Ligand: COA; Similar sites found with APoc: 1
This union binding pocket(no: 18) in the query (biounit: 3qmn.bio4) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 2P3V SRT 7.03125
Pocket No.: 19; Query (leader) PDB : 3QMN; Ligand: COA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 19) in the query (biounit: 3qmn.bio4) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 20; Query (leader) PDB : 3QMN; Ligand: COA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 20) in the query (biounit: 3qmn.bio2) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 21; Query (leader) PDB : 3QMN; Ligand: COA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 21) in the query (biounit: 3qmn.bio2) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 22; Query (leader) PDB : 3QMN; Ligand: COA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 22) in the query (biounit: 3qmn.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 23; Query (leader) PDB : 3QMN; Ligand: COA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 23) in the query (biounit: 3qmn.bio8) has 23 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 24; Query (leader) PDB : 3QMN; Ligand: COA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 24) in the query (biounit: 3qmn.bio8) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 25; Query (leader) PDB : 3QMN; Ligand: COA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 25) in the query (biounit: 3qmn.bio8) has 22 residues
No: Leader PDB Ligand Sequence Similarity
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