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Receptor
PDB id Resolution Class Description Source Keywords
3NYQ 1.43 Å EC: 6.-.-.- MALONYL-COA LIGASE TERNARY PRODUCT COMPLEX WITH METHYLMALONY AMP BOUND STREPTOMYCES COELICOLOR A/B TOPOLOGY ABABA SANDWICH BETA-BARREL ADENYLATE-FORMING ENFOLD LIGASE
Ref.: ENZYMATIC EXTENDER UNIT GENERATION FOR IN VITRO POL SYNTHASE REACTIONS: STRUCTURAL AND FUNCTIONAL SHOWC STREPTOMYCES COELICOLOR MATB. CHEM.BIOL. V. 18 165 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AMP A:487;
Valid;
none;
submit data
347.221 C10 H14 N5 O7 P c1nc(...
CL A:497;
A:498;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
MCA A:486;
Valid;
none;
submit data
867.607 C25 H40 N7 O19 P3 S C[C@H...
MG A:499;
Invalid;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3NYQ 1.43 Å EC: 6.-.-.- MALONYL-COA LIGASE TERNARY PRODUCT COMPLEX WITH METHYLMALONY AMP BOUND STREPTOMYCES COELICOLOR A/B TOPOLOGY ABABA SANDWICH BETA-BARREL ADENYLATE-FORMING ENFOLD LIGASE
Ref.: ENZYMATIC EXTENDER UNIT GENERATION FOR IN VITRO POL SYNTHASE REACTIONS: STRUCTURAL AND FUNCTIONAL SHOWC STREPTOMYCES COELICOLOR MATB. CHEM.BIOL. V. 18 165 2011
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 12 families.
1 3NYQ - MCA C25 H40 N7 O19 P3 S C[C@H](C(=....
2 3NYR - MLC C24 H38 N7 O19 P3 S CC(C)(CO[P....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 12 families.
1 3NYQ - MCA C25 H40 N7 O19 P3 S C[C@H](C(=....
2 3NYR - MLC C24 H38 N7 O19 P3 S CC(C)(CO[P....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 3NYQ - MCA C25 H40 N7 O19 P3 S C[C@H](C(=....
2 3NYR - MLC C24 H38 N7 O19 P3 S CC(C)(CO[P....
Polypharmacology
Similar Ligands
Ligand no: 1; 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
Ligand no: 2; Ligand: MCA; Similar ligands found: 145
No: Ligand ECFP6 Tc MDL keys Tc
1 MCA 1 1
2 CO6 0.896 0.988636
3 IRC 0.890625 0.977273
4 3KK 0.865079 0.988636
5 ACO 0.864 0.977528
6 OXK 0.858268 0.988636
7 IVC 0.852713 0.977273
8 CAO 0.848 0.934066
9 COS 0.848 0.944444
10 MLC 0.838462 0.988636
11 BCO 0.838462 0.966292
12 3HC 0.838462 0.977273
13 1VU 0.837209 0.977528
14 2MC 0.830769 0.945652
15 2CP 0.825758 0.977528
16 SCA 0.825758 0.988636
17 A1S 0.824427 0.944444
18 1HE 0.824427 0.945055
19 CMC 0.823077 0.966292
20 FYN 0.821705 0.965909
21 1GZ 0.819549 0.955556
22 HGG 0.819549 0.988636
23 CAA 0.818182 0.977273
24 COO 0.818182 0.966292
25 COK 0.815385 0.944444
26 SOP 0.815385 0.966292
27 MCD 0.815385 0.966292
28 MC4 0.81203 0.935484
29 COA 0.809524 0.965909
30 0T1 0.809524 0.94382
31 DCA 0.808 0.94382
32 GRA 0.807407 0.988636
33 FCX 0.806202 0.934066
34 COW 0.80597 0.955556
35 BYC 0.80597 0.966292
36 MRR 0.805755 0.966667
37 MRS 0.805755 0.966667
38 30N 0.804688 0.885417
39 TGC 0.801471 0.977528
40 FAQ 0.8 0.966292
41 BCA 0.8 0.955556
42 SCO 0.79845 0.965909
43 CMX 0.79845 0.965909
44 1CZ 0.79562 0.977528
45 2NE 0.79562 0.945055
46 HXC 0.794118 0.966667
47 ETB 0.793651 0.911111
48 2KQ 0.792593 0.988764
49 3CP 0.792593 0.966292
50 FAM 0.792308 0.923077
51 AMX 0.790698 0.954545
52 CO8 0.782609 0.966667
53 COF 0.779412 0.923913
54 DCC 0.776978 0.966667
55 UCC 0.776978 0.966667
56 5F9 0.776978 0.966667
57 MYA 0.776978 0.966667
58 ST9 0.776978 0.966667
59 MFK 0.776978 0.966667
60 SCD 0.776119 0.965909
61 4CA 0.773723 0.934066
62 HAX 0.772727 0.923077
63 CIC 0.769784 0.966292
64 CS8 0.765957 0.956044
65 WCA 0.765957 0.945055
66 CA6 0.761194 0.877551
67 HDC 0.760563 0.966667
68 4KX 0.760563 0.934783
69 NMX 0.755556 0.875
70 1CV 0.753521 0.988636
71 0FQ 0.751773 0.944444
72 4CO 0.751773 0.934066
73 YNC 0.75 0.955556
74 CAJ 0.75 0.966292
75 DAK 0.75 0.934783
76 01A 0.746479 0.904255
77 0ET 0.746479 0.945055
78 8Z2 0.744828 0.956044
79 YE1 0.73913 0.933333
80 NHM 0.736111 0.945055
81 NHW 0.736111 0.945055
82 UOQ 0.736111 0.945055
83 HFQ 0.731034 0.923913
84 CA8 0.728571 0.877551
85 1HA 0.724832 0.945055
86 S0N 0.72028 0.944444
87 F8G 0.715232 0.946237
88 NHQ 0.711409 0.955056
89 CCQ 0.708333 0.945652
90 7L1 0.705882 0.977528
91 COT 0.703947 0.944444
92 01K 0.697368 0.966292
93 CA3 0.694805 0.944444
94 93P 0.689873 0.955556
95 UCA 0.689873 0.966667
96 CO7 0.678322 0.966292
97 CA5 0.672956 0.904255
98 93M 0.668712 0.955556
99 4BN 0.658824 0.925532
100 5TW 0.658824 0.925532
101 COD 0.656716 0.954545
102 JBT 0.61236 0.926316
103 OXT 0.609195 0.925532
104 HMG 0.597403 0.955056
105 COA PLM 0.589744 0.934066
106 PLM COA 0.589744 0.934066
107 BSJ 0.570621 0.934783
108 SFC 0.565217 0.966667
109 RFC 0.565217 0.966667
110 PAP 0.544715 0.784091
111 ASP ASP ASP ILE CMC NH2 0.54386 0.923077
112 191 0.518987 0.877551
113 PPS 0.507812 0.729167
114 A3P 0.495935 0.772727
115 ACE SER ASP ALY THR NH2 COA 0.491979 0.944444
116 0WD 0.489933 0.763441
117 PTJ 0.45 0.863636
118 PUA 0.436709 0.793478
119 3AM 0.435484 0.761364
120 A22 0.427536 0.786517
121 A2D 0.421875 0.775281
122 PAJ 0.421429 0.875
123 48N 0.42 0.822222
124 3OD 0.41958 0.818182
125 AGS 0.41791 0.8
126 SAP 0.41791 0.8
127 ATR 0.41791 0.772727
128 OAD 0.415493 0.818182
129 ADP 0.412214 0.795455
130 ADQ 0.411348 0.797753
131 A2R 0.410072 0.806818
132 TXA 0.409722 0.808989
133 F2R 0.407643 0.857143
134 NA7 0.405594 0.829545
135 BA3 0.40458 0.775281
136 ATP 0.402985 0.795455
137 HEJ 0.402985 0.795455
138 B4P 0.401515 0.775281
139 AP5 0.401515 0.775281
140 AQP 0.4 0.795455
141 2A5 0.4 0.818182
142 APR 0.4 0.795455
143 AR6 0.4 0.795455
144 APU 0.4 0.76087
145 5FA 0.4 0.795455
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3NYQ; Ligand: MCA; Similar sites found with APoc: 116
This union binding pocket(no: 1) in the query (biounit: 3nyq.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
1 4KCF FMN 1.54185
2 1P9B HDA 1.58371
3 5U97 PIT 1.58416
4 1RL4 BRR 1.59574
5 5LUN ARG 1.70455
6 3W54 RNB 1.82371
7 5WXU FLC 1.87891
8 2IZ1 ATR 1.89873
9 1Q11 TYE 2.15054
10 4XAR 40F 2.17822
11 5XHA FRU 2.17822
12 1IH7 GMP 2.17822
13 5JBE MAL 2.17822
14 5FPE 3TR 2.32558
15 4GN8 ASO 2.34114
16 5K8P 6R8 2.35294
17 2XQ0 BES 2.37624
18 4URF 1PS 2.41935
19 1E5F PLP 2.47525
20 5H9I XAN 2.5
21 1H3F TYE 2.5463
22 3CF6 SP1 2.57426
23 3I9U DTU 2.6616
24 3DU4 KAP 2.67857
25 3FSY SCA 2.71084
26 4R5Z SIN 2.7248
27 5VYH FOL 2.91545
28 2UVO NDG 2.92398
29 2UVO NAG 2.92398
30 6E0D XXX 2.97872
31 2AK3 AMP 3.09735
32 5KOD AMP 3.16832
33 2WBV SIA 3.1746
34 2Y4O DLL 3.56436
35 2Z6J TUI 3.61446
36 6EK3 OUL 3.61991
37 3BRE C2E 3.63128
38 5GQI ATP 3.64372
39 2P3I MNA 3.72671
40 1M26 GAL A2G 3.7594
41 1UGX GAL MGC 3.7594
42 1Y42 TYR 3.82653
43 5JVB 2PO 3.92857
44 4OKE AMP 3.9604
45 4DR9 BB2 4.16667
46 5NE2 DGL 4.31655
47 3UW4 MAA CHG PRO 0DQ 4.34783
48 1O9W NAG 4.51977
49 1UTJ ABN 4.54545
50 1KYQ NAD 4.55446
51 4KFU ACP 4.71698
52 1NME 159 4.79452
53 3QH2 3NM 4.97738
54 4MTI 2DX 5.21739
55 1IK4 PGH 5.26316
56 2UWN SCR 5.34759
57 2RDG NDG FUC SIA GAL 5.61225
58 5M04 GDP 5.83333
59 1W55 GPP 6.73267
60 4B2G V1N 6.73267
61 4Z7X 3CX 7.14286
62 6AA8 NAD 7.28477
63 6G5J EM8 8.48485
64 1F52 ADP 9.61539
65 5LMK 6ZK 9.76431
66 4DS0 A2G GAL NAG FUC 9.81595
67 3NRZ MTE 10.3659
68 3LE7 ADE 11.1111
69 1LK7 DER 12.2271
70 4GV8 DUP 12.426
71 3BP1 GUN 13.7931
72 3I7V B4P 14.1791
73 2BVE PH5 14.2857
74 3G6N MET ALA SER 16.7539
75 3KXW 1ZZ 17.4257
76 1MDB AMP DBH 24.3564
77 4R0M FA5 24.7278
78 5EY9 5SV 24.9505
79 5HM3 649 29.703
80 4DG8 AMP 29.703
81 5MST AMP 30.099
82 5MST FUM 30.099
83 5MSD BEZ 30.297
84 5MSD AMP 30.297
85 5HQ8 SAH 31.25
86 1RY2 AMP 31.6832
87 2V7B BEZ 33.4653
88 1PG4 PRX 33.8614
89 1PG4 COA 33.8614
90 3C5E ATP 33.8614
91 5OE4 3UK 34.8894
92 5N81 8Q2 36.6337
93 5BSR COA 37.0297
94 5BSR AMP 37.0297
95 5C5H 4YB 40
96 3E7W AMP 40.5941
97 3DHV DAL AMP 41.5842
98 3O84 HTJ 41.7822
99 1AMU AMP 42.1782
100 2D1S SLU 42.3762
101 4D57 ARG AMP 43.5644
102 5X8G S0N 44.3564
103 1V25 ANP 44.3564
104 3IES M24 44.3564
105 5N9X THR 44.5545
106 5N9X 8QN 44.5545
107 5N9X ATP 44.5545
108 5IE3 AMP 45.3465
109 5IE3 OXD 45.3465
110 4OXI GAP 45.9406
111 3CW9 01A 46.1386
112 3CW9 AMP 46.1386
113 5D6J ATP 46.1386
114 4FUT ATP 46.9307
115 4GXQ ATP 47.3267
116 4GR5 APC 47.3267
Pocket No.: 2; Query (leader) PDB : 3NYQ; Ligand: AMP; Similar sites found with APoc: 118
This union binding pocket(no: 2) in the query (biounit: 3nyq.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
1 4KCF FMN 1.54185
2 1P9B HDA 1.58371
3 5U97 PIT 1.58416
4 3W54 RNB 1.82371
5 5WXU FLC 1.87891
6 4XAR 40F 2.17822
7 5XHA FRU 2.17822
8 1IH7 GMP 2.17822
9 5JBE MAL 2.17822
10 5FPE 3TR 2.32558
11 4GN8 ASO 2.34114
12 5K8P 6R8 2.35294
13 2XQ0 BES 2.37624
14 3I7S PYR 2.39726
15 4URF 1PS 2.41935
16 1E5F PLP 2.47525
17 5H9I XAN 2.5
18 3CF6 SP1 2.57426
19 3I9U DTU 2.6616
20 3DU4 KAP 2.67857
21 3FSY SCA 2.71084
22 4R5Z SIN 2.7248
23 2NCD ADP 2.85714
24 5VYH FOL 2.91545
25 6E0D XXX 2.97872
26 5KOD AMP 3.16832
27 2WBV SIA 3.1746
28 5TQZ GLC 3.33333
29 2Y4O DLL 3.56436
30 2Z6J TUI 3.61446
31 6EK3 OUL 3.61991
32 5GQI ATP 3.64372
33 1M26 GAL A2G 3.7594
34 1UGX GAL MGC 3.7594
35 3HQP FDP 3.80762
36 1Y42 TYR 3.82653
37 5JVB 2PO 3.92857
38 4OKE AMP 3.9604
39 4DR9 BB2 4.16667
40 5NE2 DGL 4.31655
41 3UW4 MAA CHG PRO 0DQ 4.34783
42 1Y7P RIP 4.4843
43 3CL5 SIO 4.50928
44 1O9W NAG 4.51977
45 1UTJ ABN 4.54545
46 1KYQ NAD 4.55446
47 3TW1 AHN 4.64135
48 4KFU ACP 4.71698
49 5OCG 9R5 4.7619
50 1NME 159 4.79452
51 2WJH GDP 4.81928
52 3QH2 3NM 4.97738
53 6FA4 D1W 5.20231
54 4MTI 2DX 5.21739
55 1IK4 PGH 5.26316
56 2UWN SCR 5.34759
57 2RDG NDG FUC SIA GAL 5.61225
58 3A16 PXO 5.89812
59 5G3R NAG 5.96591
60 1W55 GPP 6.73267
61 4B2G V1N 6.73267
62 4Z7X 3CX 7.14286
63 6AA8 NAD 7.28477
64 6GNO XDI 8.14815
65 5Y02 HBX 9.34579
66 1F52 ADP 9.61539
67 5LMK 6ZK 9.76431
68 4DS0 A2G GAL NAG FUC 9.81595
69 3NRZ MTE 10.3659
70 1LK7 DER 12.2271
71 4GV8 DUP 12.426
72 3BP1 GUN 13.7931
73 1U29 I3P 13.9535
74 3I7V B4P 14.1791
75 2BVE PH5 14.2857
76 3G6N MET ALA SER 16.7539
77 3KXW 1ZZ 17.4257
78 1MDB AMP DBH 24.3564
79 4R0M FA5 24.7278
80 5EY9 5SV 24.9505
81 5HM3 649 29.703
82 4DG8 AMP 29.703
83 5MST AMP 30.099
84 5MST FUM 30.099
85 5MSD BEZ 30.297
86 5MSD AMP 30.297
87 5HQ8 SAH 31.25
88 1RY2 AMP 31.6832
89 2V7B BEZ 33.4653
90 1PG4 COA 33.8614
91 1PG4 PRX 33.8614
92 3C5E ATP 33.8614
93 5OE4 3UK 34.8894
94 5N81 8Q2 36.6337
95 5BSR COA 37.0297
96 5BSR AMP 37.0297
97 5C5H 4YB 40
98 3E7W AMP 40.5941
99 3DHV DAL AMP 41.5842
100 3O84 HTJ 41.7822
101 1AMU AMP 42.1782
102 2D1S SLU 42.3762
103 4D57 ARG AMP 43.5644
104 5X8G S0N 44.3564
105 1V25 ANP 44.3564
106 3IES M24 44.3564
107 5N9X THR 44.5545
108 5N9X 8QN 44.5545
109 5N9X ATP 44.5545
110 5IE3 AMP 45.3465
111 5IE3 OXD 45.3465
112 4OXI GAP 45.9406
113 3CW9 01A 46.1386
114 3CW9 AMP 46.1386
115 5D6J ATP 46.1386
116 4FUT ATP 46.9307
117 4GXQ ATP 47.3267
118 4GR5 APC 47.3267
Pocket No.: 3; Query (leader) PDB : 3NYQ; Ligand: MCA; Similar sites found with APoc: 4
This union binding pocket(no: 3) in the query (biounit: 3nyq.bio2) has 33 residues
No: Leader PDB Ligand Sequence Similarity
1 5YF9 NIO 1.76991
2 1V6A TRE 2.71084
3 2J5B TYE 3.73563
4 6E1Q CFA 4.03361
Pocket No.: 4; Query (leader) PDB : 3NYQ; Ligand: MCA; 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: 3nyq.bio2) has 33 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 3NYQ; Ligand: AMP; Similar sites found with APoc: 3
This union binding pocket(no: 5) in the query (biounit: 3nyq.bio2) has 34 residues
No: Leader PDB Ligand Sequence Similarity
1 1GPM AMP 2.17822
2 2J5B TYE 3.73563
3 6E1Q CFA 4.03361
Pocket No.: 6; Query (leader) PDB : 3NYQ; Ligand: AMP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 3nyq.bio2) has 34 residues
No: Leader PDB Ligand Sequence Similarity
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