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Receptor
PDB id Resolution Class Description Source Keywords
2AK3 1.85 Å EC: 2.7.4.10 THE THREE-DIMENSIONAL STRUCTURE OF THE COMPLEX BETWEEN MITOCHONDRIAL MATRIX ADENYLATE KINASE AND ITS SUBSTRATE A MP AT 1.85 ANGSTROMS RESOLUTION BOS TAURUS TRANSFERASE (PHOSPHOTRANSFERASE)
Ref.: THE REFINED STRUCTURE OF THE COMPLEX BETWEEN ADENYLATE KINASE FROM BEEF HEART MITOCHONDRIAL MATRIX AND ITS SUBSTRATE AMP AT 1.85 A RESOLUTION. J.MOL.BIOL. V. 217 541 1991
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AMP A:226;
B:226;
Valid;
Valid;
none;
none;
submit data
347.221 C10 H14 N5 O7 P c1nc(...
SO4 A:227;
B:227;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2AK3 1.85 Å EC: 2.7.4.10 THE THREE-DIMENSIONAL STRUCTURE OF THE COMPLEX BETWEEN MITOCHONDRIAL MATRIX ADENYLATE KINASE AND ITS SUBSTRATE A MP AT 1.85 ANGSTROMS RESOLUTION BOS TAURUS TRANSFERASE (PHOSPHOTRANSFERASE)
Ref.: THE REFINED STRUCTURE OF THE COMPLEX BETWEEN ADENYLATE KINASE FROM BEEF HEART MITOCHONDRIAL MATRIX AND ITS SUBSTRATE AMP AT 1.85 A RESOLUTION. J.MOL.BIOL. V. 217 541 1991
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2AK3 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2AK3 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
50% Homology Family (40)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1AKY - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
2 1DVR - ATF C11 H16 F2 N5 O12 P3 c1nc(c2c(n....
3 3AKY - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
4 2AKY - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
5 1P3J - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
6 2EU8 - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
7 4MKF - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
8 1E4Y - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
9 3HPR - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
10 6F7U - GCP C11 H18 N5 O13 P3 c1nc2c(n1[....
11 1E4V - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
12 4X8L - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
13 1AKE - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
14 3HPQ - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
15 1ANK - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
16 4X8O Kd = 60 nM AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
17 5G40 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
18 5G3Z - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
19 5G41 - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
20 2RGX - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
21 4UKD - UDP ADP BF2 n/a n/a
22 5UKD - AF3 Al F3 F[Al](F)F
23 1QF9 - ALF Al F4 F[Al-](F)(....
24 2UKD - C5P C9 H14 N3 O8 P C1=CN(C(=O....
25 1S3G - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
26 3FB4 - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
27 4MKG - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
28 4MKH - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
29 5G3Y - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
30 1UKY - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
31 1UKZ - AMP C10 H14 N5 O7 P c1nc(c2c(n....
32 2BWJ - AMP C10 H14 N5 O7 P c1nc(c2c(n....
33 1ZIP - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
34 1ZIO - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
35 1ZIN - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
36 1Z83 - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
37 4W5J - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
38 4NU0 - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
39 2CDN - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
40 2AK3 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
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
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2AK3; Ligand: AMP; Similar sites found with APoc: 195
This union binding pocket(no: 1) in the query (biounit: 2ak3.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 3KV8 FAH None
2 2ZAT NAP None
3 1LNX URI None
4 4LWU 20U None
5 4WG0 CHD None
6 5O96 SAM 0.884956
7 5EPO NAP 1.76991
8 2XTN GTP 1.76991
9 4I42 1HA 1.76991
10 2WKV COA 1.76991
11 4YDQ HFG 2.21239
12 4YDQ ANP 2.21239
13 1IY8 NAD 2.21239
14 1LLU NAD 2.21239
15 4QIJ 1HA 2.21239
16 4UCC ZKW 2.21239
17 1Z0S ATP 2.21239
18 3AQT RCO 2.21239
19 1SUW NAP 2.21239
20 4USF 6UI 2.21239
21 5ULJ 0WD 2.21239
22 4E1N TQX 2.40964
23 3BGD PM6 2.65487
24 3QWI CUE 2.65487
25 2Y31 SMQ 2.65487
26 3QWI NAP 2.65487
27 4Q9M FPP 2.65487
28 4CDN FO1 2.65487
29 1LLF F23 2.65487
30 3VC3 C6P 2.65487
31 1SR7 MOF 2.65487
32 3WCA FPS 2.65487
33 6C74 PC 2.7027
34 5CYV WCA 2.73973
35 4XJC TTP 2.82486
36 3W9K MYR 2.8777
37 3CBG 4FE 3.09735
38 2J7T 274 3.09735
39 3FDZ DG2 3.09735
40 1XKQ NDP 3.09735
41 3FDZ 3PG 3.09735
42 1E3W NAD 3.09735
43 1VL8 NAP 3.09735
44 3WVR AMP 3.09735
45 5GM5 CBI 3.18182
46 3QKD HI0 3.31492
47 4TWP AXI 3.53982
48 5GUD NDP 3.53982
49 2C49 ANP 3.53982
50 1H9G COA MYR 3.53982
51 3OI7 OI7 3.53982
52 5GUD 2IT 3.53982
53 1EDO NAP 3.53982
54 1CSI CMX 3.53982
55 1CSI OAA 3.53982
56 3SIG AR6 3.53982
57 1G0N NDP 3.53982
58 2FNA ADP 3.53982
59 1HXD BTN 3.53982
60 2C42 TPP 3.53982
61 2C42 PYR 3.53982
62 1XPK HMG 3.53982
63 3TAY MN0 3.68098
64 2CJF RP4 3.82166
65 4WGF HX2 3.90244
66 5G5G FAD 3.9823
67 2NAD NAD 3.9823
68 2DKN NAI 3.9823
69 4QWT ACD 3.9823
70 4ISK 1JY 3.9823
71 5G5G MCN 3.9823
72 2HHJ DG2 3.9823
73 2HHJ 3PG 3.9823
74 4NBU NAI 3.9823
75 1KCE CB3 3.9823
76 1DDU CB3 3.9823
77 3T3C 017 4.0404
78 4V24 GYR 4.04313
79 5BQ5 ADP BEF 4.2328
80 4IJ6 SEP 4.2654
81 5ZM0 FAD 4.42478
82 5AK0 F6P 4.42478
83 1LBT T80 4.42478
84 5AK0 8V1 4.42478
85 2G86 UMP 4.42478
86 2QEN ADP 4.42478
87 5UR1 YY9 4.42478
88 6GBC AMP 4.42478
89 4CQM NAP 4.42478
90 2UZ2 BTN 4.61538
91 6GL8 F3Q 4.65116
92 3R1V AZB 4.72441
93 3ET3 ET1 4.86726
94 1FFU FAD 4.86726
95 2HFP NSI 4.86726
96 1K7L 544 4.86726
97 2J07 FAD 4.86726
98 2J07 HDF 4.86726
99 3FEI CTM 4.86726
100 5V13 JH3 4.86726
101 5Y6Q MCN 4.93827
102 2EW5 Y12 4.97238
103 1A59 COA 5.30973
104 5UAO FAD 5.30973
105 1X87 NAD 5.30973
106 2ZCQ B65 5.30973
107 1YYE 196 5.30973
108 5FI4 5XV 5.30973
109 2G50 PYR 5.30973
110 2XB8 XNW 5.47945
111 1QNF HDF 5.75221
112 3W54 RNB 5.75221
113 3GD4 FAD 5.75221
114 3BEJ MUF 5.75221
115 1UU6 BGC BGC BGC BGC 5.80357
116 4RW3 SHV 6.19469
117 2Z9I GLY ALA THR VAL 6.19469
118 2H7C COA 6.19469
119 4Q9N NAI 6.19469
120 4F4S EFO 6.57895
121 2OO8 RAJ 6.63717
122 5CX6 CDP 6.63717
123 4MGB XDH 6.63717
124 1T3Q FAD 7.07965
125 5XWC 8GL 7.07965
126 5XWC NAP 7.07965
127 5XWC 2IT 7.07965
128 5ERR ADP 7.07965
129 5DOZ NDP 7.07965
130 2AQX ATP 7.07965
131 4MRP GSH 7.07965
132 4D81 ADP 7.07965
133 1GEG NAD 7.07965
134 2FAV APR 7.22222
135 3D72 FAD 7.38255
136 1FM9 570 7.52212
137 3LL4 2FP 7.52212
138 6GQM F8H 7.52212
139 2ALG DAO 7.6087
140 1HSK FAD 7.9646
141 3Q2H QHF 7.9646
142 5OJI NAP 7.9646
143 5OJI ISN 7.9646
144 4BNU 9KQ 7.9646
145 4DVE BTN 8.08081
146 4ZOH FAD 8.33333
147 2GJ3 FAD 8.33333
148 1U7Z PMT 8.40708
149 2D1K ATP 8.40708
150 3GEG NAD 8.40708
151 4WT2 3UD 8.57143
152 4OGN 2U5 8.57143
153 1N62 FAD 8.84956
154 1Q19 APC 8.84956
155 3KP6 SAL 9.27152
156 1NP7 FAD 9.29204
157 3NRZ FAD 9.29204
158 1UA4 AMP 9.29204
159 4OAS 2SW 9.375
160 1XNG DND 9.73451
161 1I0S NAP 10.0592
162 3B6H MXD 10.177
163 3TO7 COA 10.177
164 4OOE NDP 10.6195
165 4OOE FOM 10.6195
166 5X8G S0N 10.6195
167 4NBT NAD 11.0619
168 5HM3 649 11.0619
169 3QUZ QUV 11.1111
170 3SCM LGN 11.1111
171 3K9U ACO 11.3208
172 5OYH T99 11.399
173 2J4D FAD 11.5044
174 4ZBR DIF 11.5044
175 4HBM 0Y7 11.6667
176 3GUZ PAF 11.9318
177 3HRD FAD 11.9469
178 2JFN GLU 12.3894
179 3CXH SMA 12.6984
180 4BJ8 BTN 13.4921
181 6B4H IHP 13.6986
182 5BQI GSH 14.2857
183 5BQI 4UL 14.2857
184 4YSX E23 14.6018
185 6FYV 3NG 14.6018
186 1EZV SMA 14.8649
187 4PYW ACE THR THR ALA ILE NH2 15.9292
188 4WNP 3RJ 16.8142
189 2DYR PGV 16.9492
190 2DYS PGV 16.9492
191 5ZCO PGV 16.9492
192 1JQ9 PHE LEU SER TYR LYS 21.4876
193 1TIP F6P 23.5602
194 2A06 SMA 28.2051
195 5GK9 ACO 34
Pocket No.: 2; Query (leader) PDB : 2AK3; Ligand: AMP; Similar sites found with APoc: 104
This union binding pocket(no: 2) in the query (biounit: 2ak3.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 2C1Q BTN None
2 5MT9 SRO None
3 1UO4 PIH None
4 1BAI 0Q4 None
5 4UYE 9F9 None
6 3MBG FAD None
7 1ZEI CRS None
8 6FHQ DE5 None
9 2E2R 2OH 1.76991
10 2J0W ADP 1.76991
11 2Q2V NAD 2.21239
12 3DAK ANP 2.21239
13 4I4Z 2NE 2.65487
14 1YSL COA 2.65487
15 4AG8 AXI 2.65487
16 1IXE COA 2.65487
17 2FV5 541 2.65487
18 1IR2 CAP 2.65487
19 2C9E PID 2.65487
20 2FP2 TSA 3.01205
21 1M5B BN1 3.09735
22 3TJH SER PRO LEU ASP SER LEU TRP TRP ILE 3.09735
23 3O26 NDP 3.09735
24 6GAS FAD 3.09735
25 3RO7 TDR 3.09735
26 3ROE THM 3.09735
27 3NYQ MCA 3.09735
28 1E6W NAD 3.09735
29 3KA2 2NC 3.44828
30 3GAY P6T 3.53982
31 1TMO 2MD 3.53982
32 1XPM HMG 3.53982
33 5M3E APR 3.63636
34 6GWR FEW 3.9823
35 3LL5 ADP 3.9823
36 2O07 SPD 3.9823
37 2O07 MTA 3.9823
38 5KOR GDP 3.9823
39 5OSW DIU 3.9823
40 5I7A 68Q 3.9823
41 1SNY NAP 4.11985
42 6GG9 FMN 4.32099
43 5B4B LP5 4.42478
44 4G31 0WH 4.42478
45 3A28 NAD 4.42478
46 2Z6C FMN 4.65116
47 3KDU NKS 4.86726
48 2OBF F83 4.86726
49 2ZPA ADP 4.86726
50 1P0F NAP 4.86726
51 3OUM TOF 4.86726
52 4YZN 4K5 4.86726
53 3V66 D3A 5.30973
54 4WW8 VD9 5.30973
55 6H8S FSZ 5.30973
56 3WYJ H78 5.30973
57 5XHA FRU 5.30973
58 2ZSC BTN 5.67376
59 1U3U BNF 5.75221
60 1U3U NAD 5.75221
61 2GWH PCI 5.75221
62 4PL8 ATP 6.19469
63 1N9L FMN 6.42202
64 5TVI O8N 6.52174
65 1E8G FCR 6.63717
66 5GWT NAD 6.63717
67 4IP7 FLC 6.63717
68 5GWT SIN 6.63717
69 1T0I FMN 6.80628
70 3NWQ 2NC 7.07071
71 3IAE D7K 7.07965
72 1PZO CBT 7.07965
73 1T3Q MCN 7.07965
74 1B7H LYS NLE LYS 7.07965
75 2NYA MGD 7.07965
76 4YV5 SVR 7.37705
77 5B4T NAD 7.52212
78 5B4T 3HR 7.52212
79 2ALG HP6 7.6087
80 5BYK OAQ 7.9646
81 5BYK A3P 7.9646
82 5SVV FMN 8.0292
83 3GGO NAI 8.40708
84 5ECP ATP 8.52018
85 4R38 RBF 8.57143
86 6GBV FMN 8.90411
87 1RV1 IMZ 10.5882
88 1JXZ BCA 10.6195
89 1NZY BCA 10.6195
90 3KJS NAP 10.6195
91 2UUU FAD 11.0619
92 4ZBR NPS 11.5044
93 4IDN GNP 11.9469
94 3C56 PH4 12.3894
95 3ZC7 ATP 12.6984
96 4KCT PYR 12.8319
97 2V6A CAP 12.8571
98 2V67 CAP 12.8571
99 5LXT ACP 15.3846
100 5Z84 PGV 16.9492
101 1ZBQ NAD 17.2566
102 2CI0 1CM 17.6991
103 3QVL 5HY 19.1837
104 5XG5 A2G 30.3448
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