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Receptor
PDB id Resolution Class Description Source Keywords
2ZKJ 2 Å EC: 2.7.11.2 CRYSTAL STRUCTURE OF HUMAN PDK4-ADP COMPLEX HOMO SAPIENS PROTEIN-NUCLEOTIDE COMPLEX HOMODIMER GHKL SUPERFAMILY CARBOHYDRATE METABOLISM GLUCOSE METABOLISM KINASE MITOCHONDRION PHOSPHOPROTEIN TRANSFERASE TRANSIT PEPTIDE
Ref.: PYRUVATE DEHYDROGENASE KINASE-4 STRUCTURES REVEAL A METASTABLE OPEN CONFORMATION FOSTERING ROBUST CORE-FREE BASAL ACTIVITY J.BIOL.CHEM. V. 283 25305 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADP A:501;
B:501;
Valid;
Valid;
none;
none;
Kd = 3.3 uM
427.201 C10 H15 N5 O10 P2 c1nc(...
MG A:500;
B:500;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
PO4 A:502;
B:502;
Invalid;
Invalid;
none;
none;
submit data
94.971 O4 P [O-]P...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2ZKJ 2 Å EC: 2.7.11.2 CRYSTAL STRUCTURE OF HUMAN PDK4-ADP COMPLEX HOMO SAPIENS PROTEIN-NUCLEOTIDE COMPLEX HOMODIMER GHKL SUPERFAMILY CARBOHYDRATE METABOLISM GLUCOSE METABOLISM KINASE MITOCHONDRION PHOSPHOPROTEIN TRANSFERASE TRANSIT PEPTIDE
Ref.: PYRUVATE DEHYDROGENASE KINASE-4 STRUCTURES REVEAL A METASTABLE OPEN CONFORMATION FOSTERING ROBUST CORE-FREE BASAL ACTIVITY J.BIOL.CHEM. V. 283 25305 2008
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3D2R Kd = 3.3 uM ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 2ZKJ Kd = 3.3 uM ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
3 2ZDY - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
4 2E0A - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
70% Homology Family (22)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2BU8 - TF4 C2 H2 Cl2 O2 C(C(=O)O)(....
2 1JM6 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
3 2BU6 - TF2 C19 H21 F3 N2 O4 S CC[N@@](c1....
4 4MPN Kd = 239 nM PV0 C14 H13 N O6 S c1cc(c(cc1....
5 5M4M Ki = 1.02 uM 7FW C31 H26 N4 O4 CN(Cc1ccc2....
6 2BU7 - TF3 C20 H25 Cl N2 O2 CC(C)c1ccc....
7 5J71 - P35 C19 H23 N3 O4 S c1cc2c(cc1....
8 4MP2 Kd = 3570 nM PV1 C15 H12 Br N O3 c1ccc2c(c1....
9 4MPE Kd = 426 nM PV8 C14 H13 N O5 S c1cc2c(cc1....
10 5J6A ic50 = 58 nM P46 C23 H27 N5 O6 S c1cc2cn(cc....
11 4V26 - TF3 C20 H25 Cl N2 O2 CC(C)c1ccc....
12 5M4P - TF3 C20 H25 Cl N2 O2 CC(C)c1ccc....
13 2BU5 - TF1 C18 H20 F3 N3 O3 C[C@H]1CN(....
14 2BU2 - TF1 C18 H20 F3 N3 O3 C[C@H]1CN(....
15 4MP7 Kd = 1827 nM PFT C15 H13 N O3 c1ccc2c(c1....
16 4MPC Kd = 711 nM PV2 C14 H13 N O4 S c1ccc2c(c1....
17 2Q8H Ki = 1 mM TF4 C2 H2 Cl2 O2 C(C(=O)O)(....
18 2Q8G ic50 = 0.087 uM AZX C19 H18 Cl F3 N2 O5 S C[C@@](C(=....
19 3D2R Kd = 3.3 uM ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
20 2ZKJ Kd = 3.3 uM ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
21 2ZDY - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
22 2E0A - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
50% Homology Family (22)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2BU8 - TF4 C2 H2 Cl2 O2 C(C(=O)O)(....
2 1JM6 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
3 2BU6 - TF2 C19 H21 F3 N2 O4 S CC[N@@](c1....
4 4MPN Kd = 239 nM PV0 C14 H13 N O6 S c1cc(c(cc1....
5 5M4M Ki = 1.02 uM 7FW C31 H26 N4 O4 CN(Cc1ccc2....
6 2BU7 - TF3 C20 H25 Cl N2 O2 CC(C)c1ccc....
7 5J71 - P35 C19 H23 N3 O4 S c1cc2c(cc1....
8 4MP2 Kd = 3570 nM PV1 C15 H12 Br N O3 c1ccc2c(c1....
9 4MPE Kd = 426 nM PV8 C14 H13 N O5 S c1cc2c(cc1....
10 5J6A ic50 = 58 nM P46 C23 H27 N5 O6 S c1cc2cn(cc....
11 4V26 - TF3 C20 H25 Cl N2 O2 CC(C)c1ccc....
12 5M4P - TF3 C20 H25 Cl N2 O2 CC(C)c1ccc....
13 2BU5 - TF1 C18 H20 F3 N3 O3 C[C@H]1CN(....
14 2BU2 - TF1 C18 H20 F3 N3 O3 C[C@H]1CN(....
15 4MP7 Kd = 1827 nM PFT C15 H13 N O3 c1ccc2c(c1....
16 4MPC Kd = 711 nM PV2 C14 H13 N O4 S c1ccc2c(c1....
17 2Q8H Ki = 1 mM TF4 C2 H2 Cl2 O2 C(C(=O)O)(....
18 2Q8G ic50 = 0.087 uM AZX C19 H18 Cl F3 N2 O5 S C[C@@](C(=....
19 3D2R Kd = 3.3 uM ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
20 2ZKJ Kd = 3.3 uM ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
21 2ZDY - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
22 2E0A - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ADP; Similar ligands found: 452
No: Ligand ECFP6 Tc MDL keys Tc
1 ADP 1 1
2 HEJ 0.9 1
3 ATP 0.9 1
4 A2D 0.895522 0.971831
5 5FA 0.887324 1
6 AQP 0.887324 1
7 AP5 0.884058 0.971831
8 B4P 0.884058 0.971831
9 BA3 0.869565 0.971831
10 AN2 0.84507 0.985915
11 AT4 0.84507 0.958904
12 M33 0.833333 0.958333
13 ACQ 0.826667 0.972222
14 A 0.823529 0.971429
15 AMP 0.823529 0.971429
16 ACP 0.821918 0.972222
17 6YZ 0.818182 0.972222
18 APR 0.810811 0.971831
19 AR6 0.810811 0.971831
20 ANP 0.802632 0.972222
21 SAP 0.8 0.945946
22 AGS 0.8 0.945946
23 AD9 0.8 0.972222
24 ADX 0.783784 0.873418
25 CA0 0.783784 0.945205
26 TAT 0.779221 0.958904
27 T99 0.779221 0.958904
28 50T 0.773333 0.958333
29 ABM 0.763889 0.917808
30 APC 0.763158 0.958904
31 PRX 0.763158 0.893333
32 ATF 0.759494 0.958904
33 A22 0.753086 0.985915
34 AP2 0.743243 0.958904
35 A12 0.743243 0.958904
36 SRA 0.736111 0.918919
37 ADQ 0.73494 0.945205
38 25L 0.732558 0.985915
39 5AL 0.725 0.931507
40 2A5 0.717949 0.918919
41 A1R 0.714286 0.907895
42 AU1 0.714286 0.972222
43 A3R 0.714286 0.907895
44 ATR 0.708861 0.971429
45 ADP PO3 0.708861 0.943662
46 PAP 0.708861 0.985714
47 SRP 0.707317 0.906667
48 7D3 0.706667 0.905405
49 25A 0.702381 0.971831
50 9X8 0.697674 0.92
51 OAD 0.697674 0.945205
52 RBY 0.6875 0.932432
53 ADV 0.6875 0.932432
54 00A 0.686047 0.883117
55 OOB 0.682353 0.931507
56 5SV 0.682353 0.848101
57 8QN 0.682353 0.931507
58 3OD 0.681818 0.945205
59 BIS 0.681818 0.933333
60 ALF ADP 0.674699 0.87013
61 ADP ALF 0.674699 0.87013
62 AMO 0.674419 0.932432
63 4AD 0.674419 0.92
64 PAJ 0.674419 0.884615
65 GAP 0.670732 0.893333
66 MAP 0.670588 0.945946
67 AHX 0.666667 0.896104
68 VO4 ADP 0.666667 0.931507
69 DLL 0.666667 0.931507
70 ADP VO4 0.666667 0.931507
71 PTJ 0.662921 0.896104
72 3UK 0.659091 0.918919
73 SON 0.658228 0.932432
74 LMS 0.653333 0.82716
75 LAD 0.651685 0.860759
76 WAQ 0.651685 0.883117
77 B5V 0.651685 0.906667
78 PR8 0.651685 0.85
79 ITT 0.65 0.943662
80 7D4 0.65 0.905405
81 G5P 0.648936 0.921053
82 XYA 0.647059 0.84507
83 ADN 0.647059 0.84507
84 RAB 0.647059 0.84507
85 1ZZ 0.644444 0.839506
86 ME8 0.644444 0.839506
87 FYA 0.644444 0.905405
88 NB8 0.644444 0.896104
89 TXA 0.644444 0.932432
90 6AD 0.642857 0.909091
91 ADP BMA 0.640449 0.918919
92 G3A 0.638298 0.921053
93 DAL AMP 0.632184 0.905405
94 AFH 0.631579 0.884615
95 9SN 0.630435 0.871795
96 9ZA 0.625 0.907895
97 DQV 0.625 0.958333
98 9ZD 0.625 0.907895
99 GTA 0.625 0.886076
100 YAP 0.623656 0.894737
101 B5M 0.623656 0.894737
102 FA5 0.623656 0.906667
103 B5Y 0.623656 0.894737
104 UP5 0.622449 0.92
105 HFD 0.619048 0.945946
106 XAH 0.617021 0.839506
107 AV2 0.616279 0.917808
108 AOC 0.615385 0.821918
109 48N 0.612245 0.896104
110 4UV 0.610526 0.894737
111 6V0 0.606061 0.896104
112 NAI 0.606061 0.907895
113 DND 0.606061 0.932432
114 NAX 0.606061 0.873418
115 NXX 0.606061 0.932432
116 TXD 0.606061 0.907895
117 5N5 0.605634 0.819444
118 5AS 0.604938 0.77907
119 A4P 0.60396 0.843373
120 DAT 0.60241 0.905405
121 A2R 0.602273 0.985915
122 TXE 0.6 0.907895
123 OMR 0.6 0.851852
124 4UU 0.597938 0.894737
125 GA7 0.597938 0.906667
126 A A 0.597826 0.944444
127 A4D 0.597222 0.819444
128 5CD 0.597222 0.805556
129 AP0 0.594059 0.896104
130 4TC 0.594059 0.896104
131 A3P 0.592593 0.971429
132 T5A 0.592233 0.841463
133 139 0.592233 0.873418
134 7D5 0.592105 0.878378
135 ATP A A A 0.589474 0.930556
136 LAQ 0.585859 0.839506
137 MYR AMP 0.585106 0.817073
138 F2R 0.580952 0.864198
139 YLP 0.58 0.819277
140 UPA 0.578431 0.907895
141 7DD 0.578313 0.985714
142 3AM 0.576923 0.929577
143 ADJ 0.576923 0.851852
144 COD 0.575472 0.811765
145 NAD 0.575472 0.931507
146 3AT 0.574713 0.971831
147 JB6 0.574468 0.883117
148 4UW 0.574257 0.860759
149 EP4 0.573333 0.753247
150 A2P 0.573171 0.957143
151 CNA 0.571429 0.932432
152 TYM 0.568627 0.906667
153 PPS 0.568182 0.873418
154 DTA 0.565789 0.786667
155 M2T 0.565789 0.734177
156 AR6 AR6 0.565657 0.917808
157 A3D 0.564815 0.918919
158 80F 0.564815 0.841463
159 3DH 0.564103 0.773333
160 G5A 0.563218 0.77907
161 YLB 0.563107 0.819277
162 YLC 0.563107 0.839506
163 AMP DBH 0.561224 0.893333
164 TYR AMP 0.561224 0.87013
165 MTA 0.558442 0.773333
166 DTP 0.556818 0.905405
167 AHZ 0.554455 0.817073
168 NA7 0.553191 0.958904
169 IOT 0.552381 0.831325
170 ZAS 0.55 0.766234
171 7MD 0.55 0.8625
172 ARG AMP 0.55 0.829268
173 IMO 0.548781 0.929577
174 YLA 0.54717 0.819277
175 NAE 0.544643 0.894737
176 TAD 0.544554 0.884615
177 A5A 0.544444 0.807229
178 2AM 0.544304 0.943662
179 TSB 0.543478 0.819277
180 6RE 0.54321 0.759494
181 AYB 0.542056 0.809524
182 NAQ 0.539823 0.871795
183 V3L 0.539326 0.971831
184 SSA 0.538462 0.8
185 AF3 ADP 3PG 0.538462 0.8375
186 ZID 0.535088 0.918919
187 LPA AMP 0.533981 0.817073
188 52H 0.532609 0.77907
189 VMS 0.532609 0.788235
190 54H 0.532609 0.788235
191 BTX 0.53211 0.841463
192 A3N 0.53012 0.786667
193 J7C 0.53012 0.769231
194 5X8 0.528736 0.763158
195 BT5 0.527273 0.831325
196 8X1 0.526882 0.752809
197 5CA 0.526882 0.8
198 53H 0.526882 0.77907
199 ARU 0.526316 0.860759
200 EAD 0.525862 0.873418
201 RGT 0.525253 0.958904
202 OVE 0.52439 0.905405
203 S4M 0.52381 0.666667
204 7DT 0.522727 0.985714
205 GDP 0.522222 0.92
206 DDS 0.522222 0.878378
207 AVV 0.521277 0.896104
208 NDE 0.521008 0.932432
209 7MC 0.518868 0.841463
210 DSH 0.518072 0.725
211 MAO 0.517647 0.759036
212 NSS 0.515789 0.8
213 DSZ 0.515789 0.8
214 LSS 0.515789 0.761364
215 P5A 0.515464 0.744444
216 DZD 0.513514 0.884615
217 NVA LMS 0.510417 0.752809
218 9K8 0.510204 0.714286
219 12D 0.509615 0.785714
220 M24 0.508772 0.85
221 YLY 0.508772 0.809524
222 P1H 0.508333 0.851852
223 5AD 0.506849 0.746479
224 GJV 0.505882 0.75
225 LEU LMS 0.505155 0.752809
226 AMP NAD 0.504505 0.905405
227 4TA 0.504505 0.807229
228 G A A A 0.504505 0.871795
229 NAJ PZO 0.504425 0.848101
230 GSU 0.5 0.77907
231 128 0.5 0.776471
232 KAA 0.5 0.752809
233 71V 0.5 0.907895
234 A3G 0.5 0.8
235 NDC 0.5 0.871795
236 7D7 0.5 0.743243
237 N0B 0.495726 0.819277
238 NJP 0.495495 0.945946
239 ODP 0.495495 0.909091
240 2SA 0.494624 0.932432
241 6C6 0.494505 0.881579
242 SFG 0.494382 0.75
243 0WD 0.491071 0.921053
244 YSA 0.490196 0.77907
245 PO4 PO4 A A A A PO4 0.489796 0.902778
246 SAM 0.48913 0.690476
247 6IA 0.48913 0.8375
248 A7D 0.488636 0.776316
249 6FA 0.488 0.841463
250 FB0 0.487805 0.804598
251 NAJ PYZ 0.487179 0.807229
252 A5D 0.483516 0.786667
253 IDP 0.483516 0.918919
254 SA8 0.483516 0.707317
255 PGS 0.483146 0.883117
256 MHZ 0.483146 0.697674
257 DA 0.482353 0.878378
258 D5M 0.482353 0.878378
259 NEC 0.482353 0.746667
260 NIA 0.481928 0.822785
261 Y3J 0.480519 0.726027
262 8PZ 0.480392 0.8
263 FAD 0.480315 0.851852
264 FAS 0.480315 0.851852
265 FDA 0.48 0.833333
266 N6P 0.479592 0.915493
267 GGZ 0.479167 0.825
268 U A 0.478261 0.907895
269 SAH 0.478261 0.74359
270 SAI 0.478261 0.734177
271 A G 0.477876 0.883117
272 NPW 0.477477 0.886076
273 NDP 0.477477 0.921053
274 AAM 0.476744 0.971429
275 C2R 0.47561 0.90411
276 AMZ 0.47561 0.916667
277 A A A 0.474747 0.905405
278 GTP 0.473684 0.92
279 U A G G 0.473684 0.883117
280 SMM 0.473684 0.686047
281 NZQ 0.473214 0.909091
282 TXP 0.473214 0.921053
283 A3S 0.47191 0.810811
284 SFD 0.46875 0.734043
285 AIR 0.468354 0.901408
286 AAT 0.468085 0.707317
287 EEM 0.468085 0.690476
288 J7V 0.466667 0.833333
289 Z5A 0.466667 0.77907
290 7C5 0.466667 0.818182
291 62F 0.465649 0.8625
292 HDV 0.463158 0.893333
293 FAY 0.462121 0.8625
294 A3T 0.461538 0.821918
295 ETB 0.461538 0.833333
296 DCA 0.461538 0.823529
297 A6D 0.46 0.722892
298 A U 0.459459 0.87013
299 GEK 0.459184 0.7375
300 6K6 0.459184 0.930556
301 RFL 0.458647 0.821429
302 NAP 0.458333 0.945205
303 S7M 0.458333 0.690476
304 4YB 0.457944 0.761364
305 WSA 0.454545 0.788235
306 TAP 0.454545 0.907895
307 FNK 0.454545 0.804598
308 COA 0.453782 0.823529
309 0T1 0.453782 0.823529
310 101 0.453488 0.878378
311 XNP 0.452174 0.873418
312 NA0 0.45082 0.932432
313 7RP 0.448276 0.928571
314 GP3 0.446809 0.921053
315 TM1 0.446602 0.77381
316 APU 0.446429 0.894737
317 PUA 0.445378 0.884615
318 V1N 0.443396 0.917808
319 7RA 0.443182 0.957747
320 COS 0.442623 0.804598
321 AMX 0.442623 0.833333
322 30N 0.442623 0.752688
323 CAO 0.442623 0.795455
324 QQY 0.44186 0.815789
325 ACK 0.44186 0.861111
326 649 0.441441 0.744444
327 0UM 0.44 0.698795
328 NHD 0.439655 0.905405
329 CMX 0.439024 0.823529
330 SCO 0.439024 0.823529
331 GCP 0.438776 0.896104
332 8BR 0.438202 0.906667
333 GNH 0.4375 0.907895
334 8Q2 0.4375 0.772727
335 3AD 0.4375 0.805556
336 NVA 2AD 0.43617 0.759494
337 62X 0.435644 0.666667
338 FCX 0.435484 0.795455
339 ACO 0.435484 0.795455
340 FAM 0.435484 0.804598
341 9JJ 0.434783 0.8625
342 GNP 0.434343 0.896104
343 9GM 0.434343 0.896104
344 NMX 0.433071 0.76087
345 MGP 0.43299 0.884615
346 26A 0.432099 0.763158
347 HAX 0.432 0.804598
348 K15 0.431373 0.682353
349 DG1 0.430894 0.921053
350 1DG 0.430894 0.921053
351 QQX 0.430233 0.805195
352 2VA 0.430108 0.8
353 S8M 0.43 0.759494
354 2MC 0.429688 0.769231
355 6G0 0.428571 0.884615
356 P5F 0.428571 0.823529
357 FYN 0.428571 0.823529
358 3KK 0.428571 0.804598
359 A C A C 0.428571 0.848101
360 7L1 0.427419 0.795455
361 FAI 0.426966 0.916667
362 RMB 0.426966 0.873239
363 AS 0.426966 0.833333
364 1RB 0.425287 0.885714
365 CA6 0.425197 0.729167
366 SOP 0.425197 0.804598
367 OXK 0.425197 0.804598
368 MCD 0.425197 0.804598
369 COK 0.425197 0.804598
370 G1R 0.424242 0.907895
371 SXZ 0.423077 0.710843
372 CC5 0.423077 0.816901
373 F2N 0.422535 0.813953
374 EO7 0.422222 0.788235
375 ANZ 0.422018 0.8
376 1VU 0.421875 0.795455
377 CMC 0.421875 0.804598
378 CO6 0.421875 0.804598
379 ZDA 0.421053 0.864865
380 GKE 0.420561 0.884615
381 GDC 0.420561 0.884615
382 GDD 0.420561 0.884615
383 NFD 0.420168 0.883117
384 GSP 0.42 0.873418
385 D3Y 0.42 0.789474
386 MC4 0.419847 0.76087
387 3D1 0.419753 0.773333
388 3L1 0.419753 0.773333
389 FA9 0.41958 0.864198
390 5GP 0.419355 0.906667
391 G 0.419355 0.906667
392 KB1 0.419048 0.698795
393 CAJ 0.418605 0.804598
394 SCD 0.418605 0.823529
395 CMP 0.417582 0.901408
396 2BA 0.417582 0.915493
397 SO8 0.416667 0.789474
398 VRT 0.416667 0.769231
399 N01 0.416667 0.905405
400 IVC 0.415385 0.813953
401 1HE 0.415385 0.786517
402 A1S 0.415385 0.804598
403 BCO 0.415385 0.804598
404 3HC 0.415385 0.813953
405 MLC 0.415385 0.804598
406 NMN AMP PO4 0.415254 0.87013
407 2FA 0.414634 0.813333
408 MGO 0.414141 0.860759
409 3NZ 0.413462 0.782051
410 COO 0.412214 0.804598
411 MCA 0.412214 0.795455
412 YE1 0.412214 0.813953
413 CAA 0.412214 0.813953
414 GAV 0.411765 0.884615
415 PRT 0.411215 0.931507
416 JLN 0.411111 0.890411
417 P2P 0.411111 0.902778
418 ZZB 0.410256 0.77381
419 SP1 0.409091 0.842105
420 RP1 0.409091 0.842105
421 2CP 0.409091 0.795455
422 SCA 0.409091 0.804598
423 103 0.409091 0.837838
424 PAX 0.408 0.829268
425 FAD NBT 0.407143 0.75
426 COW 0.406015 0.795455
427 3CP 0.406015 0.804598
428 IRC 0.406015 0.813953
429 BYC 0.406015 0.804598
430 CA8 0.406015 0.729167
431 1GZ 0.406015 0.795455
432 COF 0.406015 0.786517
433 HGG 0.406015 0.804598
434 2KQ 0.406015 0.786517
435 G2P 0.405941 0.884615
436 SLU 0.404959 0.770115
437 U A C C 0.404959 0.858974
438 RBZ 0.404494 0.849315
439 1CZ 0.404412 0.795455
440 FAQ 0.402985 0.804598
441 BCA 0.402985 0.795455
442 4CA 0.402985 0.795455
443 MTP 0.402439 0.730769
444 8OD 0.402062 0.945205
445 CO7 0.401515 0.804598
446 GRA 0.4 0.804598
447 G2R 0.4 0.884615
448 ENQ 0.4 0.916667
449 CNV FAD 0.4 0.8
450 GMV 0.4 0.896104
451 HXC 0.4 0.786517
452 HF7 0.4 0.893333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2ZKJ; Ligand: ADP; Similar sites found with APoc: 141
This union binding pocket(no: 1) in the query (biounit: 2zkj.bio2) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 4WGF HX2 None
2 1ZED PNP 1.26904
3 3H4L ANP 1.63488
4 2PEL LBT 1.69492
5 4DBH OXL 1.73611
6 5TUF TDC 1.77665
7 5TUF FAD 1.77665
8 1BGQ RDC 1.77778
9 4CNO 9PY 1.98413
10 2O1V ADP 2.03046
11 2IOR ADP 2.12766
12 1FDJ 13P 2.20386
13 1P77 ATR 2.20588
14 6ARJ BW4 2.29226
15 6ARJ SAH 2.29226
16 4V1F BQ1 2.32558
17 4XCP PLM 2.35294
18 4WOH 4NP 2.40964
19 1V97 FAD 2.53807
20 5OMY 9YE 2.55754
21 3EF0 ALF 2.68817
22 3K60 ADP 2.69058
23 1TO9 HMH 2.69231
24 1N1V DAN 2.79188
25 1LTH OXM 2.82132
26 6D28 NEC 2.9304
27 2J5V PCA 2.99728
28 3TDC 0EU 3.04569
29 4TV1 36M 3.18725
30 4HY1 19X 3.33333
31 2GFD RDA 3.38983
32 4JZ8 CIT 3.47003
33 4XCL AGS 3.4749
34 2V5E SCR 3.5
35 2VCN ISZ 3.5533
36 2AJH MET 3.57143
37 5LX9 OLB 3.58306
38 1S16 ANP 3.58974
39 3B12 FAH 3.61842
40 3EHH ADP 3.66972
41 5F5R ANP 3.78151
42 1YC4 43P 3.78788
43 4IF4 BEF 3.84615
44 3O01 DXC 3.8961
45 5T9F NAP 4.05904
46 4GDX GLU 4.10256
47 1B63 ANP 4.2042
48 4XFR CIT 4.31472
49 2G50 ALA 4.31472
50 4B7P 9UN 4.34783
51 2YI0 YI0 4.36681
52 4L77 CNL 4.56853
53 4GGL CJC 4.65116
54 5OF9 ANP 4.78548
55 2RI1 GLP 5.10638
56 1U3G ADP 5.29101
57 2JHP GUN 5.32995
58 4JMU 1ML 5.35714
59 2YLD CMO 5.51181
60 2QLU ADE 5.73248
61 1NF8 BOG 5.7971
62 5V6F MAN BMA MAN 5.7971
63 4IVG ANP 5.83756
64 4IPE ANP 5.83756
65 2P3V SRT 5.85938
66 4DE3 DN8 6.08365
67 5Y3N 8MF 6.09137
68 3NRZ FAD 6.09756
69 1DTL BEP 6.21118
70 3FGZ BEF 6.25
71 1TDF FAD 6.32911
72 4HZ0 1AV 6.57277
73 6FOG OXL 6.69643
74 1FFU CDP 6.74847
75 5LPB ADP 6.75676
76 5GVR LMR 6.83761
77 6AY3 C3J 6.95652
78 4FHT DHB 7.00637
79 2WR9 MAN MAN 7.03125
80 2F5X ASP 7.05128
81 2BOI MFU 7.07965
82 4URL XAM 7.1066
83 1KIJ NOV 7.17949
84 1S14 NOV 7.2165
85 3OBT SLB 7.36041
86 4ZVI 4S4 7.69231
87 4G05 JZ3 7.88644
88 1UQX MMA 7.9646
89 2GAG FOA 8.08081
90 4O08 PO6 8.09969
91 4YSW FAD 8.12183
92 4YSW NAI 8.12183
93 2B4B COA 8.18713
94 5XXH E0D 8.27068
95 6F3G CJN 8.47458
96 1VDC FAD 8.70871
97 3ZJQ NCA 8.71795
98 2BOS GLA GAL GLC 8.82353
99 2BOS GLA GAL GLC NBU 8.82353
100 5AHO TLA 8.92857
101 4GJ3 0XP 8.9404
102 1HBK MYR 8.98876
103 3AJ4 SEP 9.82143
104 3O5N BR0 9.82143
105 4LZB URA 10.084
106 4GCZ ADP 10.1299
107 5UC4 83S 10.4545
108 3LN9 FLC 10.7914
109 3EHG ATP 10.9375
110 2JDU MFU 11.3043
111 2HKJ RDC 11.4213
112 4EMV 0R9 12.3894
113 4URN NOV 12.8889
114 1QZR CDX 13.198
115 1QZR ANP 13.198
116 1ZXM ANP 13.198
117 1TID ATP 13.2353
118 5I8F ML1 13.9394
119 3FJG 3PG 13.9442
120 4BAE RWX 14.1463
121 1KZN CBN 14.1463
122 4B6C B5U 14.7959
123 4BIX ADP 15.1007
124 1TH8 ADP 16.3793
125 3TTZ 07N 18.1818
126 1ID0 ANP 18.4211
127 3R51 MMA 18.75
128 6H39 FGY 19.2308
129 4P8O 883 19.2513
130 5IDM ANP 20.6704
131 3D36 ADP 21.3115
132 2C2A ADP 22.8682
133 2XCM ADP 22.8972
134 5N1X 8HH 23.7288
135 1N62 MCN 24.6988
136 5W97 CHD 25.5319
137 5ZCO CHD 25.5319
138 1I58 ACP 29.1005
139 1I58 ADP 29.1005
140 4PL9 ADP 32.2404
141 1GKZ ADP 43.299
Pocket No.: 2; Query (leader) PDB : 2ZKJ; Ligand: ADP; Similar sites found with APoc: 118
This union binding pocket(no: 2) in the query (biounit: 2zkj.bio2) has 40 residues
No: Leader PDB Ligand Sequence Similarity
1 2CFC KPC None
2 4V3I ASP LEU THR ARG PRO 0.77821
3 4MRP GSH 1.01523
4 2WPX ACO 1.47493
5 3GFZ FMN 1.52284
6 4RLQ 3SK 1.52284
7 3E70 GDP 1.52439
8 2FDW D3G 1.77665
9 2D2F ADP 2
10 1Q19 SSC 2.03046
11 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 2.17391
12 1O8B ABF 2.28311
13 4AMV F6R 2.28426
14 3DX5 DHB 2.44755
15 5TCI MLI 2.53623
16 2HHP FLC 2.53807
17 1EWK GLU 2.53807
18 5URY PAM 2.73973
19 2W90 6PG 2.79188
20 3QPB URA 2.83688
21 4MIX UD1 2.97619
22 2QCX PF1 3.04183
23 2OEM 1AE 3.04569
24 2AF6 BRU 3.10078
25 4PTN PYR 3.207
26 4RYV ZEA 3.22581
27 5LOL GSH 3.25581
28 5CX6 CDP 3.29949
29 1R6N 434 3.31754
30 3W54 RNB 3.34347
31 1DKF OLA 3.40426
32 5LNW HG3 3.48101
33 6MPT C30 3.4965
34 1TV5 N8E 3.5533
35 6BR8 PGV 3.57143
36 6BR8 6OU 3.57143
37 3KB6 LAC 3.59281
38 5EY0 GTP 3.64964
39 4S28 SAH 3.80711
40 4S28 AIR 3.80711
41 1MAI I3P 3.81679
42 4L8F MTX 3.84615
43 5V3Y 5V8 3.84615
44 3L8H FX1 3.91061
45 3OGN 3OG 4.03226
46 4UA3 COA 4.12371
47 5FUS DAO 4.18118
48 5O2Z FLC 4.20168
49 4IA6 EIC 4.31472
50 3KU0 ADE 4.38247
51 1GHE ACO 4.51977
52 6AM8 TRP 4.54545
53 4NB5 2JT 4.67836
54 4UCC ZKW 4.72103
55 2E9L PLM 4.82234
56 3M0J OAF 4.88599
57 4RW3 PLM 4.96689
58 4RW3 TDA 4.96689
59 2P41 G1G 5.2459
60 1VB3 KPA 5.32995
61 4G2R H1L 5.32995
62 2D3Y DU 5.47945
63 5GZZ GSH 5.50459
64 5CX8 TG6 5.58376
65 2VL8 UDP 5.58376
66 2VL8 CTS 5.58376
67 5NM7 GLY 5.6391
68 1GXS BEZ 5.6962
69 4DDY DN6 6.08365
70 1TIQ COA 6.11111
71 5X80 SAL 6.25
72 2GWH PCI 6.37584
73 2IDO TMP 6.45161
74 1UUY PPI 6.58683
75 5Z49 RUB 6.69456
76 3EYK EYK 6.81115
77 3E85 BSU 6.96203
78 5FH7 5XL 7.25806
79 4OGQ 7PH 7.82123
80 3B6C SDN 8.11966
81 5IM3 DTP 8.12183
82 1M0S CIT 8.21918
83 5IJJ I6P 8.33333
84 3PMD 11A 8.49673
85 1QPB PYM 8.62944
86 5C1M OLC 8.8
87 2VWA PTY 8.91089
88 3JQM GTP 8.9172
89 4RDN 6MD 8.98204
90 4NV0 MG7 9.09091
91 3KP6 SAL 9.27152
92 2QQD AG2 9.43396
93 2QQC AG2 9.43396
94 5U83 ZN8 9.43396
95 1N13 AG2 9.61539
96 1MT1 AG2 9.61539
97 1T36 ORN 9.64467
98 5CEO 50D 10
99 2JCB ADP 10
100 1N8V BDD 10.7143
101 2YVE MBT 11.3514
102 4LAE NAP 11.976
103 4LAE 1VM 11.976
104 2PRG BRL 12.5
105 3KDM TES 12.8889
106 1NXJ TLA 13.6612
107 5C9J DAO 14.1414
108 2PKA BEN 15.7895
109 5MWE TCE 17.1429
110 1NE7 16G 17.301
111 6GMN F4E 17.3077
112 5TVI O8N 18.4783
113 2WOR 2AN 19
114 5Y02 MXN 19.6262
115 4F4S EFO 28.9474
116 3KPE TM3 30.7692
117 4WG0 CHD 46.6667
118 1M2Z BOG 47.619
Pocket No.: 3; Query (leader) PDB : 2ZKJ; Ligand: ADP; Similar sites found with APoc: 2
This union binding pocket(no: 3) in the query (biounit: 2zkj.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 4MKF AP5 6.45161
2 4C2W ANP 15.3846
Pocket No.: 4; Query (leader) PDB : 2ZKJ; Ligand: ADP; 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: 2zkj.bio1) has 40 residues
No: Leader PDB Ligand Sequence Similarity
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