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Receptor
PDB id Resolution Class Description Source Keywords
3FYH 1.9 Å NON-ENZYME: TRANSCRIPT_TRANSLATE RECOMBINASE IN COMPLEX WITH ADP AND METATUNGSTATE METHANOCOCCUS VOLTAE ATPASE RADA RAD51 RECA RECOMBINASE INHIBITOR RADA-INHICOMPLEX ATP-BINDING DNA DAMAGE DNA RECOMBINATION DNA-BINUCLEOTIDE-BINDING RECOMBINATION
Ref.: CRYSTAL STRUCTURE OF AN ARCHAEAL RAD51 HOMOLOGUE IN WITH A METATUNGSTATE INHIBITOR. BIOCHEMISTRY V. 48 6805 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADP A:401;
Valid;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
MG A:501;
A:502;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
NA A:509;
Part of Protein;
none;
submit data
22.99 Na [Na+]
W A:511;
A:512;
A:513;
A:514;
A:515;
A:516;
A:517;
A:518;
A:519;
A:520;
A:521;
A:522;
A:523;
A:524;
A:525;
A:526;
A:527;
A:528;
A:529;
A:530;
A:531;
A:532;
A:533;
A:534;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
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;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
183.84 W [W+6]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3FYH 1.9 Å NON-ENZYME: TRANSCRIPT_TRANSLATE RECOMBINASE IN COMPLEX WITH ADP AND METATUNGSTATE METHANOCOCCUS VOLTAE ATPASE RADA RAD51 RECA RECOMBINASE INHIBITOR RADA-INHICOMPLEX ATP-BINDING DNA DAMAGE DNA RECOMBINATION DNA-BINUCLEOTIDE-BINDING RECOMBINATION
Ref.: CRYSTAL STRUCTURE OF AN ARCHAEAL RAD51 HOMOLOGUE IN WITH A METATUNGSTATE INHIBITOR. BIOCHEMISTRY V. 48 6805 2009
Members (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 291 families.
1 2FPK - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 1T4G - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
3 2FPL - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
4 2FPM - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
5 2I1Q - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
6 3NTU - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
7 2F1J - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
8 3FYH - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
9 1XU4 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
70% Homology Family (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 247 families.
1 2FPK - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 1T4G - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
3 2FPL - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
4 2FPM - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
5 2I1Q - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
6 3NTU - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
7 2F1J - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
8 3FYH - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
9 1XU4 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
10 3EW9 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
11 3EWA - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
12 3ETL - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
13 2GDJ - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
50% Homology Family (32)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 173 families.
1 5FOV Kd = 1590 uM ACE PHE HIS THR GLY NH2 n/a n/a
2 4D6P - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
3 5J4K - 6FZ C10 H10 O2 c1ccc2c(c1....
4 5FOU Kd = 113 uM ACE PHE HIS PRO ALA NH2 n/a n/a
5 4B34 Kd = 0.73 mM ABV C7 H6 N2 S c1ccc2c(c1....
6 4B32 Kd = 0.46 mM 03V C10 H8 O c1ccc2cc(c....
7 4B3C Kd = 1.9 mM 5H1 C8 H7 N O c1cc2c(cc[....
8 5FOW Kd = 93 uM ACE TRP HIS THR ALA NH2 NH2 n/a n/a
9 4B33 Kd = 0.43 mM 1NP C10 H8 O c1ccc2c(c1....
10 4B2I Kd = 1 mM LZ1 C7 H6 N2 c1ccc2c(c1....
11 4B35 Kd = 1.3 mM 4ME C10 H9 N O2 COC(=O)c1c....
12 4B2L Kd = 0.57 mM TR7 C12 H14 N2 O2 COC(=O)[C@....
13 4UQO - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
14 5FOT Kd = 680 uM ACE PHE HIS THR ABA NH2 n/a n/a
15 5FOX Kd = 675 uM ACE PHE HIS ALA ALA NH2 n/a n/a
16 4B3D Kd = 2.1 mM 5MI C9 H9 N Cc1ccc2c(c....
17 5J4H - 1F1 C9 H7 N O2 c1cc(cc2c1....
18 4B3B Kd = 250 uM ACE PHE HIS THR ALA NH2 n/a n/a
19 5FPK - ACE PHE ALA THR ALA NH2 n/a n/a
20 2FPK - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
21 1T4G - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
22 2FPL - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
23 2FPM - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
24 2I1Q - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
25 3NTU - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
26 2F1J - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
27 3FYH - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
28 1XU4 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
29 3EW9 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
30 3EWA - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
31 3ETL - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
32 2GDJ - 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 : 3FYH; Ligand: ADP; Similar sites found with APoc: 589
This union binding pocket(no: 1) in the query (biounit: 3fyh.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
1 2VOH CIT None
2 5KK4 44E None
3 2BIF SIN 1.24224
4 2BIF ANP 1.24224
5 1SQ5 ADP 1.2987
6 4UXU MLK 1.37615
7 4R43 GDP 1.5528
8 5KSZ GCP 1.5528
9 2OBM ADP 1.5528
10 5M7P ADP 1.5528
11 1XPJ TLA 1.5873
12 1YZN GNP 1.62162
13 4LPS GDP 1.65289
14 4U5X GNP 1.68539
15 1YVD GNP 1.77515
16 4AG5 ADP 1.86335
17 4J0Q GDP 1.86335
18 1G6O ADP 1.86335
19 5W7Q GDP 1.86335
20 5W76 GDP 1.86335
21 2DPY ADP 1.86335
22 4LYA ATP 1.86335
23 1OS1 PYR 1.86335
24 3EC1 GDP 1.86335
25 2C77 GNP 1.86335
26 2WKQ GTP 1.86335
27 1OS1 ATP 1.86335
28 2C78 GNP 1.86335
29 1JJ7 ADP 1.92308
30 3KJI ADP 1.9685
31 4RZ3 ADP 2.0339
32 1FP6 ADP 2.07612
33 1XX6 ADP 2.09424
34 4IHQ ADP 2.17391
35 1WDT GTP 2.17391
36 5I0H ADP BEF 2.17391
37 5AK0 8V1 2.17391
38 3IO3 ADP 2.17391
39 1SVM ATP 2.17391
40 4FRZ ADP 2.17391
41 4RF7 ARG 2.17391
42 1P72 ADP 2.17391
43 5HR5 ADP 2.17391
44 4BFW ZVW 2.20126
45 3FWY ADP 2.2293
46 5K5Z ANP 2.2293
47 5NM7 GLY 2.25564
48 1TU3 GNP 2.33918
49 1R2Q GNP 2.35294
50 4V0K GDP 2.36686
51 3MJH GTP 2.38095
52 2OFW ADX 2.40385
53 4WZ6 ATP 2.41379
54 1R0X ATP 2.44755
55 4U00 ADP 2.45902
56 5H4S RAM 2.46479
57 2IYL GDP 2.46479
58 2AWN ADP 2.48447
59 3WY9 GDP 2.48447
60 2IS6 ADP 2.48447
61 3WYA GDP 2.48447
62 4DCT GDP 2.48447
63 3EZ2 ADP 2.48447
64 3G5N PB2 2.48447
65 2GK6 ADP 2.48447
66 2C9O ADP 2.48447
67 2J5V PCA 2.48447
68 1G41 ADP 2.48447
69 3FVQ ATP 2.48447
70 3P4X ADP 2.48447
71 2EW1 GNP 2.48756
72 5U32 GDP 2.54237
73 1OW3 GDP 2.59067
74 1OIV GDP 2.6178
75 1OIX GDP 2.6178
76 2WJG GDP 2.65957
77 4NON GDP 2.69231
78 1KMQ GNP 2.71739
79 1CXZ GSP 2.74725
80 4MKF AP5 2.76498
81 3IIJ ADP 2.77778
82 2PEZ GGZ 2.7933
83 2PEZ DAT 2.7933
84 5FTB ANP 2.79503
85 5VGR GDP 2.79503
86 1X6V ADP 2.79503
87 2ZPA ADP 2.79503
88 2D7D ADP 2.79503
89 3ZOK GLY 2.79503
90 6B4K ANP 2.79503
91 5FHD ADP ALF 2.79503
92 6AU6 GDP 2.79503
93 1OYY AGS 2.79503
94 2OEM 1AE 2.79503
95 4X8O AP5 2.80374
96 4LX0 BEF GDP 2.82486
97 4BQS ADP 2.84091
98 4BQS K2Q 2.84091
99 1M7G AV2 2.8436
100 1M7G ADX 2.8436
101 1M7G ADP 2.8436
102 4WEI GLC GAL 2.88809
103 2HV8 GTP 2.90698
104 1GWN GTP 2.92683
105 1G3Q ADP 2.95359
106 4HDO GNP 2.99401
107 3X1Z GNP 2.99401
108 2D7C GTP 2.99401
109 4HDQ GNP 2.99401
110 2WIC GNP 2.99625
111 1SVI GDP 3.07692
112 4M9Q GNP 3.0837
113 5UIV ADP 3.0837
114 1GOJ ADP 3.10559
115 2Y65 ADP 3.10559
116 4XGU ADP 3.10559
117 2BCG GDP 3.10559
118 5VHC BEF ADP 3.10559
119 1R6B ADP 3.10559
120 4H1V GNP 3.10559
121 3QDK QDK 3.10559
122 2CJW GDP 3.125
123 2A5J GDP 3.14136
124 5CK5 GDP 3.16456
125 2X77 GDP 3.1746
126 2D2F ADP 3.2
127 1NJF ADP 3.2
128 1NJF AGS 3.2
129 2F5X ASP 3.20513
130 1IHU AF3 3.22581
131 1IHU ADP 3.22581
132 4DKX GDP 3.24074
133 1M7B GTP 3.26087
134 2ZEJ GDP 3.26087
135 1Y63 ADP 3.26087
136 1JI0 ATP 3.33333
137 4R2I ANP 3.33333
138 3LRE ADP 3.41615
139 3U6B GDP 3.41615
140 3ZFD ANP 3.41615
141 5JBQ GDP 3.41615
142 1D8T GDP 3.41615
143 3U6K GDP 3.41615
144 4PX9 ADP 3.41615
145 4LJ9 ACP 3.41615
146 2BVN GNP 3.41615
147 4PC3 GDP 3.41615
148 4NE2 ADP 3.41615
149 4NE2 SH2 3.41615
150 3RLF ANP 3.41615
151 5M04 GDP 3.41615
152 6F5W KG1 3.41615
153 1TAD ALF 3.41615
154 1TAD GDP 3.41615
155 4G5G GDP 3.41615
156 2HT6 GDP 3.44828
157 1Z0A GDP 3.44828
158 1RYH GNP 3.44828
159 3A4M ADP 3.46154
160 2W58 ADP 3.46535
161 2GCO GNP 3.48259
162 5IRC GDP 3.48259
163 2GCN GDP 3.48259
164 2PZE ATP 3.49345
165 1VKJ A3P 3.50877
166 3IUY AMP 3.50877
167 5WDR GNP 3.50877
168 1EK0 GNP 3.52941
169 4FCW ADP 3.53698
170 4WOP CTP 3.55556
171 1U8Z GDP 3.57143
172 1Z2A GDP 3.57143
173 3PQC GDP 3.58974
174 3LXR GDP 3.64583
175 1RRC ADP 3.65448
176 1A4R GNH 3.66492
177 1GRN GDP 3.66492
178 1A4R GDP 3.66492
179 2WMO GTP 3.68421
180 3BFV ADP 3.69004
181 5BQ5 ADP BEF 3.7037
182 4JLV ADP 3.71747
183 3DC4 ADP 3.72671
184 5ZXD ATP 3.72671
185 5Y6N ADP 3.72671
186 5IFS ADP 3.72671
187 3HU3 AGS 3.72671
188 6B8B ADP 3.72671
189 6C90 ADP 3.72671
190 3ITJ CIT 3.72671
191 2XTZ GSP 3.72671
192 4TMZ GSP 3.72671
193 4A4Z ANP 3.72671
194 4KFU ACP 3.77358
195 2J0V GDP 3.77358
196 2XTN GTP 3.84615
197 1VG0 GDP 3.86473
198 1VG8 GNP 3.86473
199 4YC7 GNP 3.8674
200 6BSX E7S 3.93258
201 1X1R GDP 3.93258
202 6BSX GDP 3.93258
203 2FJU GSP 3.93258
204 3R7F CP 3.94737
205 1S8F GDP 3.9548
206 1UJ2 ADP 3.96825
207 1UJ2 C5P 3.96825
208 3CPJ GDP 4.03587
209 1F9V ADP 4.03727
210 1OXV ANP 4.03727
211 1FNN ADP 4.03727
212 2FSH ANP 4.03727
213 2GKS ADP 4.03727
214 4IDN GNP 4.03727
215 3ZQ6 ADP ALF 4.03727
216 4ZG4 VO4 ADP 4.03727
217 3T1O GDP 4.0404
218 1CR1 TTP 4.05405
219 2C3H GLC GLC 4.08163
220 4QM7 GTP 4.09357
221 4ITR GDP 4.11392
222 1ION ADP 4.11523
223 3Q85 GNP 4.14201
224 4NU0 AP5 4.14747
225 1ZUI SKM 4.16667
226 1BO4 COA 4.16667
227 1KAO GDP 4.19162
228 3Q9L ATP 4.23077
229 3SBD GNP 4.27807
230 2YOH WMJ 4.28571
231 4Q1A UDP 4.28571
232 4Q1A 2XZ 4.28571
233 1MH1 GNP 4.30108
234 1D5C GDP 4.32099
235 5MVR ADP 4.32099
236 1VG1 GDP 4.32432
237 1VG9 GDP 4.32432
238 5HPY GDP 4.32432
239 5H7K GDP 4.34783
240 5H7J GCP 4.34783
241 2CBZ ATP 4.34783
242 4PJ3 ANP 4.34783
243 1K6M AGS 4.34783
244 4KVA GTP 4.34783
245 3WXM GTP 4.34783
246 2RGX AP5 4.36893
247 1KY3 GDP 4.3956
248 3T12 GDP ALF 4.41176
249 5G3Y ADP 4.42478
250 1UKZ ADP 4.4335
251 5O74 GDP 4.44444
252 1H65 GDP 4.44444
253 5X40 ACP 4.45205
254 3DKP ADP 4.4898
255 2QG6 NMN 4.52261
256 1AKY AP5 4.54545
257 5IRR GSP 4.54545
258 3NKV GNP 4.57143
259 3NHB ADP 4.57516
260 5SZH GNP 4.57516
261 1YRB GDP 4.58015
262 4Z7X 3CX 4.62185
263 3A1S GDP 4.65116
264 5GOE GDP 4.65839
265 5LB3 ADP 4.65839
266 4YJ1 ADP 4.65839
267 3FKQ ATP 4.65839
268 3RC3 ANP 4.65839
269 2FAH GDP 4.65839
270 6HKE LMR 4.65839
271 6BC0 GSP 4.66667
272 1G6H ADP 4.66926
273 2FFQ GSP 4.67836
274 1YZQ GNP 4.70588
275 1ZD9 GDP 4.78723
276 4R98 GNH 4.79705
277 2IXE ATP 4.79705
278 1O3Y GTP 4.81928
279 2J59 GTP 4.81928
280 1J2J GTP 4.81928
281 2BME GNP 4.83871
282 1R4A GNP 4.84848
283 2FH5 GTP 4.86486
284 3RWO GDP 4.86486
285 1RE0 GDP 4.87805
286 1I4D GDP 4.91071
287 3DEF GDP 4.96183
288 2QZ4 ADP 4.96183
289 2ODE ALF GDP 4.96454
290 1BG2 ADP 4.96894
291 3MD0 GDP 4.96894
292 1Z6T ADP 4.96894
293 1GOT GDP 4.96894
294 4P4T GDP 4.96894
295 3TK1 GDP 4.96894
296 1MR3 G3D 4.97238
297 2F9L GDP 5.02513
298 1Z0F GDP 5.02793
299 1F6B GDP 5.05051
300 6AIC AMP 5.14019
301 3BER AMP 5.22088
302 1M2O GNP 5.26316
303 6A20 ADP 5.2795
304 5ZBR ANP 5.2795
305 3QF7 ANP 5.2795
306 4WZA ACP 5.2795
307 4WZA ADP 5.2795
308 5OCG GNP 5.2795
309 5UQW GDP 5.2795
310 6FA4 GNP 5.2795
311 1MKY GDP 5.2795
312 5G41 AP5 5.38117
313 2OKL BB2 5.40541
314 1VHT BA3 5.50459
315 2PL3 ADP 5.50847
316 1ZIN AP5 5.52995
317 4MKG AP5 5.52995
318 1L2T ATP 5.53191
319 3COB ADP 5.59006
320 2Q2Y ADP 5.59006
321 2Q2Y MKR 5.59006
322 3QKT ANP 5.59006
323 2WOJ ADP ALF 5.59006
324 3ZS9 ADP ALF 5.59006
325 4XTR ATP 5.59006
326 4XVU ATP 5.59006
327 4XTR ADP 5.59006
328 2DTJ THR 5.61798
329 3AB4 THR 5.61798
330 5XC5 GTP 5.68182
331 1HTW ADP 5.6962
332 2VVG ADP 5.90062
333 1T5C ADP 5.90062
334 2WHX ADP 5.90062
335 1WA5 GTP 5.90062
336 5JCZ GDP 5.90062
337 2JLR ANP 5.90062
338 4JLS 3ZE 5.92105
339 6BCA GSP 5.96026
340 2QTV GNP 5.98802
341 5E5U MLI 6.03015
342 5N69 ADP 6.03015
343 3KTA AP5 6.04396
344 1NN5 2DT 6.04651
345 1NN5 ANP 6.04651
346 5OEC GDP 6.09137
347 1DS6 GDP 6.11111
348 1YZG GDP 6.14525
349 3REF GDP 6.18557
350 4ZNL BEF ADP 6.20438
351 5MZN ADP 6.21118
352 2G77 GDP 6.21118
353 1W7J ADP BEF 6.21118
354 1JJV ATP 6.31068
355 4E03 ADP 6.31068
356 5KSP GDP 6.31579
357 3W5J GDP 6.37255
358 1S9D GDP 6.40394
359 1NRJ GTP 6.42202
360 1V8K ANP 6.52174
361 1XKV ATP 6.52174
362 1TQ4 GDP 6.52174
363 1F5N GNP 6.52174
364 1G8S MET 6.52174
365 4ZKD GDP 6.52174
366 2B8W ALF 5GP 6.52174
367 1KSH GDP 6.57895
368 3T5G GDP 6.57895
369 1GXU 2HP 6.59341
370 2HF9 GSP 6.63717
371 5TB5 GDP 6.66667
372 2OZE AGS 6.71141
373 5TAR GDP 6.75676
374 2ZTS ADP 6.77291
375 5LV1 78T 6.78571
376 2J73 GLC GLC GLC GLC 6.79612
377 2J73 GLC GLC GLC 6.79612
378 5LTJ BEF 6.8323
379 5LTJ ADP 6.8323
380 2RCN GDP 6.8323
381 2QEN ADP 6.8323
382 2NGR GDP 6.83761
383 4XSH GSP 6.84932
384 4YLG GDP 6.93642
385 2CDN ADP 6.96517
386 4TTQ ATP 6.97674
387 4V03 ADP 7.00389
388 1G16 GDP 7.05882
389 1LVG ADP 7.07071
390 3RAB GNP 7.10059
391 2XT3 ADP 7.14286
392 5W75 SUC 7.14286
393 5W75 GDP 7.14286
394 4Y4V DAL 7.14286
395 1W4R TTP 7.17949
396 1PUJ GNP 7.44681
397 5XDR ADP 7.45342
398 5JCP GDP ALF 7.45342
399 1UPT GTP 7.60234
400 5EE5 GTP 7.60234
401 4KBF AMP 7.76398
402 3B5J 12D 7.81893
403 1S3G AP5 7.8341
404 4CVN ADP 7.8534
405 5J1J ANP 8.07018
406 2XAU ADP 8.07453
407 3SFV GDP 8.07453
408 5N6N SUC 8.07453
409 5ZB0 ADP 8.08081
410 5ZB0 TYD 8.08081
411 3H4S ADP 8.14815
412 1HE1 GDP 8.14815
413 1FQK GDP 8.16327
414 4K81 GTP 8.18713
415 5E95 GDP 8.33333
416 3FB4 AP5 8.33333
417 6D5G GNP 8.38323
418 6D5M GNP 8.38323
419 6D5J GNP 8.38323
420 6D5L GNP 8.38323
421 6BVI GNP 8.38323
422 6BVL GNP 8.38323
423 6BVJ GNP 8.38323
424 6D56 GNP 8.38323
425 6BVK GNP 8.38323
426 6BVM GNP 8.38323
427 6D59 GNP 8.38323
428 6D5V GNP 8.38323
429 6D5E GNP 8.38323
430 6D5H GNP 8.38323
431 6D55 GNP 8.38323
432 1LFD GNP 8.38323
433 5TSH ADP 8.38509
434 5TSH ANP 8.38509
435 6FAA ADP 8.38509
436 1YTM ATP 8.38509
437 2NCD ADP 8.38509
438 1WQ1 AF3 8.43373
439 1CLU DBG 8.43373
440 3DDC GNP 8.43373
441 1WQ1 GDP 8.43373
442 1NVV GNP 8.43373
443 2UZI GTP 8.43373
444 1ZJ6 G3D 8.55615
445 1KO8 6PG 8.57143
446 5DI3 GNP 8.64865
447 2ZFI ADP 8.69565
448 4HSE ADP 8.69565
449 5GVR LMR 8.97436
450 5KUT GDP 8.99471
451 4LC1 GDP 9.00621
452 2FNA ADP 9.00621
453 5KDO GDP 9.00621
454 1Y3A GDP 9.00621
455 6CRK GDP 9.00621
456 1SVK ALF GDP 9.00621
457 1GP2 GDP 9.00621
458 5LEF GTP 9.09091
459 3B7G ANP 9.13043
460 1Z83 AP5 9.18367
461 1BH2 GSP 9.20635
462 3VX3 ADP 9.27419
463 1XEX ATP 9.30233
464 4DID GDP 9.32642
465 4P3Y GDP 9.34066
466 4YMU ATP 9.58333
467 4KVG GTP 9.61539
468 2A9K GDP 9.62567
469 3M1I GTP 9.62733
470 3WYF GTP 9.62733
471 3WYG GTP 9.62733
472 4YS0 ADP 9.62733
473 3Q72 GNP 9.63855
474 3DOE GTP 9.69697
475 2EFE GNH 9.73783
476 3TKL GTP 9.73783
477 5J1S ATP 9.7561
478 1QF9 C5P 9.79381
479 1QF9 ALF 9.79381
480 1QF9 ADP 9.79381
481 3KUD GDP 9.87654
482 1GUA GNP 9.87654
483 1B0U ATP 9.92366
484 1G4U GDP 9.93789
485 2B4B COA 9.94152
486 4HI0 GDP 10.0503
487 5O2T GSP 10.0592
488 1CS4 GSP 10.2222
489 1YQT ADP 10.2484
490 3AB3 GDP 10.2484
491 3CX8 GSP 10.2484
492 5YV5 ADP 10.2484
493 1ZCB GDP 10.2484
494 6BCB GSP 10.274
495 2A5F GTP 10.2857
496 3GJ0 GDP 10.4072
497 3TBK ANP 10.559
498 3CH5 GDP 10.6481
499 1IBR GNP 10.6481
500 3GJX GTP 10.6481
501 4KAX GTP 10.6509
502 2QQ0 ANP 10.8696
503 2QQ0 THM 10.8696
504 2QQ0 ADP 10.8696
505 2QQ0 TMP 10.8696
506 6DEF GCP 10.8696
507 2W83 GTP 10.9091
508 1OFH ADP 10.9195
509 3N5C GDP 11.1111
510 3PCR GTP 11.1111
511 2OM2 GDP 11.1111
512 5BN3 ADP 11.1801
513 4D81 ADP 11.3074
514 2CE7 ADP 11.4907
515 1Q19 SSC 11.4907
516 1NF3 GNP 11.7188
517 3CNL GNP 11.8321
518 3AQ4 GDP 11.9565
519 3UIE ANP 12
520 3TNF GNP 12.069
521 3QBT GNP 12.069
522 4LHW GNP 12.069
523 1XF1 CIT 12.1118
524 2Y8E GNP 12.2905
525 2VB6 ADP BEF 12.4224
526 4PFO ADP 12.4224
527 4D0N GDP 12.7329
528 5Z2M GTP 13.0435
529 1Z06 GNP 13.2275
530 3TMK T5A 13.4259
531 4XOI GTP 13.7037
532 5L3W GDP 13.7255
533 4BAS GNP 13.9752
534 2KIN ADP 14
535 1RJ9 GCP 14
536 1W0J ADP 14.2857
537 2CK3 ANP 14.2857
538 2V7Q ADP 14.2857
539 1W0J ADP BEF 14.2857
540 2CK3 ADP 14.2857
541 2V7Q ATP 14.2857
542 2C5L GTP 14.4509
543 1Z0K GTP 14.4928
544 5WLB GNP 14.7059
545 2O66 FLC 14.8148
546 2OG2 MLI 14.9068
547 3E70 GDP 14.9068
548 3B9Q MLI 15.5629
549 1LVK MNT BEF 15.8385
550 5WC2 ADP 16.1491
551 5IRN ADP 16.1491
552 5L3R GCP 16.3823
553 1E96 GTP 16.7488
554 4C4P GNP 16.8224
555 2WJH GDP 16.8675
556 2WJH FLC 16.8675
557 5H68 AGS 17.3913
558 2ZX2 RAM 17.4359
559 2ORV 4TA 17.5214
560 1B7T ADP 17.9487
561 4GOJ GNP 17.9894
562 6G14 G4P 18.3673
563 1ZC3 GNP 18.5841
564 1FZQ GDP 18.7845
565 4D0G GTP 18.8406
566 4ZI2 GNP 18.9474
567 1FQJ GDP 19.0476
568 5HCN GCP 19.1571
569 3VMF GTP 19.2547
570 2GJ8 ALF GDP 19.7674
571 1KK8 BEF ADP 20.1439
572 5BXQ GDP 23.622
573 3BC1 GNP 24.1026
574 5L3V GDP 25.0836
575 5L3S GNP 25.1678
576 5L3S G 25.1678
577 1Z0J GTP 25.4237
578 2W2X GSP 25.8065
579 4YDS ATP 25.8772
580 5XKT GNP 26.5
581 4PPF FLC 27.3292
582 1XMV ADP 27.3292
583 2ZR9 DTP 27.3292
584 1XP8 AGS 27.3292
585 5H67 ATP 29.1457
586 1UAD GNP 29.2929
587 3ZIA ATP 33.3333
588 3ZIA ADP 33.3333
589 4TL6 ANP 41.502
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