Receptor
PDB id Resolution Class Description Source Keywords
1B4S 2.5 Å EC: 2.7.4.6 STRUCTURE OF NUCLEOSIDE DIPHOSPHATE KINASE H122G MUTANT DICTYOSTELIUM DISCOIDEUM TRANSFERASE KINASE ATP-BINDING PHOSPHOTRANSFERASE
Ref.: NUCLEOPHILIC ACTIVATION BY POSITIONING IN PHOSPHORYL TRANSFER CATALYZED BY NUCLEOSIDE DIPHOSPHATE KINASE. BIOCHEMISTRY V. 38 4701 1999
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADP A:160;
B:160;
C:160;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
MG A:162;
B:162;
C:162;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
PO4 A:161;
B:161;
C:161;
Invalid;
Invalid;
Invalid;
none;
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
1F3F 1.85 Å EC: 2.7.4.6 STRUCTURE OF THE H122G NUCLEOSIDE DIPHOSPHATE KINASE / D4T- TRIPHOSPHATE.MG COMPLEX DICTYOSTELIUM DISCOIDEUM NUCLEOSIDE DIPHOSPHATE KINASE ANTI-HIV NUCLEOSIDE ANALOGUEPHOSPHORYLATION CH...O BOND TRANSFERASE
Ref.: STRUCTURAL BASIS FOR ACTIVATION OF ALPHA-BORANOPHOS NUCLEOTIDE ANALOGUES TARGETING DRUG-RESISTANT REVER TRANSCRIPTASE. EMBO J. V. 19 3520 2000
Members (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 1F6T - TBD C10 H19 B N2 O10 P2 [BH3-][P@@....
2 1NDP - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
3 3FKB - TNM C9 H15 N5 O7 P2 C[C@H](Cn1....
4 1KDN - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
5 1B4S - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
6 1LWX - AZD C10 H15 N5 O10 P2 CC1=CN(C(=....
7 1NDC - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
8 2BEF - BEF ADP n/a n/a
9 1F3F Kd = 21.3 uM D4T C10 H15 N2 O13 P3 CC1=CN(C(=....
10 1S5Z - SON C12 H16 N5 O8 P c1nc(c2c(n....
11 1MN7 - ABT C10 H17 B N5 O12 P3 B=P(O)(OC[....
70% Homology Family (24)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1F6T - TBD C10 H19 B N2 O10 P2 [BH3-][P@@....
2 1NDP - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
3 3FKB - TNM C9 H15 N5 O7 P2 C[C@H](Cn1....
4 1KDN - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
5 1B4S - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
6 1LWX - AZD C10 H15 N5 O10 P2 CC1=CN(C(=....
7 1NDC - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
8 2BEF - BEF ADP n/a n/a
9 1F3F Kd = 21.3 uM D4T C10 H15 N2 O13 P3 CC1=CN(C(=....
10 1S5Z - SON C12 H16 N5 O8 P c1nc(c2c(n....
11 1MN7 - ABT C10 H17 B N5 O12 P3 B=P(O)(OC[....
12 3NGU - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
13 1WKL - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
14 1ZS6 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
15 4UOG - YYY C9 H15 N3 O10 P2 C1[C@@H]([....
16 4UOH - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
17 1BE4 - PCG C10 H12 N5 O7 P c1nc2c(n1[....
18 2HVD - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
19 3BBB - DG C10 H14 N5 O7 P c1nc2c(n1[....
20 1UCN Kd = 6 uM ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
21 3BBF - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
22 1NUE - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
23 1BHN - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
24 2HVE - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
50% Homology Family (50)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1F6T - TBD C10 H19 B N2 O10 P2 [BH3-][P@@....
2 1NDP - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
3 3FKB - TNM C9 H15 N5 O7 P2 C[C@H](Cn1....
4 1KDN - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
5 1B4S - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
6 1LWX - AZD C10 H15 N5 O10 P2 CC1=CN(C(=....
7 1NDC - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
8 2BEF - BEF ADP n/a n/a
9 1F3F Kd = 21.3 uM D4T C10 H15 N2 O13 P3 CC1=CN(C(=....
10 1S5Z - SON C12 H16 N5 O8 P c1nc(c2c(n....
11 1MN7 - ABT C10 H17 B N5 O12 P3 B=P(O)(OC[....
12 1NLK - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
13 1NHK - CMP C10 H12 N5 O6 P c1nc(c2c(n....
14 3EVO - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
15 2B8Q - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
16 3DKD - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
17 3DDI - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
18 3FBE - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
19 3ELH - DUD C9 H14 N2 O11 P2 C1[C@@H]([....
20 3GP9 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
21 3EJM - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
22 3FBB - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
23 3ETM - CDP C9 H15 N3 O11 P2 C1=CN(C(=O....
24 3EMT - DGI C10 H15 N5 O10 P2 c1nc2c(n1[....
25 3GPA - CDP C9 H15 N3 O11 P2 C1=CN(C(=O....
26 3ENA - DGI C10 H15 N5 O10 P2 c1nc2c(n1[....
27 3FCV - DUD C9 H14 N2 O11 P2 C1[C@@H]([....
28 3EIC - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
29 3EVM - YYY C9 H15 N3 O10 P2 C1[C@@H]([....
30 3B6B - DGI C10 H15 N5 O10 P2 c1nc2c(n1[....
31 3EM1 - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
32 3EE3 - CDP MG n/a n/a
33 3FCW - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
34 3NGU - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
35 3Q86 - GTP MG n/a n/a
36 3Q8U - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
37 3Q8V - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
38 1WKL - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
39 1ZS6 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
40 4UOG - YYY C9 H15 N3 O10 P2 C1[C@@H]([....
41 4UOH - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
42 2AZ3 - CDP C9 H15 N3 O11 P2 C1=CN(C(=O....
43 1BE4 - PCG C10 H12 N5 O7 P c1nc2c(n1[....
44 2HVD - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
45 3BBB - DG C10 H14 N5 O7 P c1nc2c(n1[....
46 1UCN Kd = 6 uM ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
47 3BBF - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
48 1NUE - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
49 1BHN - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
50 2HVE - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ADP; Similar ligands found: 382
No: Ligand ECFP6 Tc MDL keys Tc
1 ADP 1 1
2 ATP 0.9 1
3 A2D 0.895522 0.971831
4 5FA 0.887324 1
5 AQP 0.887324 1
6 B4P 0.884058 0.971831
7 AP5 0.884058 0.971831
8 BA3 0.869565 0.971831
9 M33 0.833333 0.958333
10 ACQ 0.826667 0.972222
11 A 0.823529 0.971429
12 AMP 0.823529 0.971429
13 ACP 0.821918 0.972222
14 AR6 0.810811 0.971831
15 APR 0.810811 0.971831
16 ANP 0.802632 0.972222
17 AD9 0.8 0.972222
18 AGS 0.8 0.945946
19 SAP 0.8 0.945946
20 ADX 0.783784 0.873418
21 CA0 0.783784 0.945205
22 TAT 0.779221 0.958904
23 AMP MG 0.774648 0.891892
24 50T 0.773333 0.958333
25 ABM 0.763889 0.917808
26 PRX 0.763158 0.893333
27 APC 0.763158 0.958904
28 ATF 0.759494 0.958904
29 A22 0.753086 0.985915
30 AP2 0.743243 0.958904
31 A12 0.743243 0.958904
32 ADP MG 0.736842 0.905405
33 SRA 0.736111 0.918919
34 ADQ 0.73494 0.945205
35 25L 0.732558 0.985915
36 ADP BEF 0.727273 0.881579
37 BEF ADP 0.727273 0.881579
38 5AL 0.725 0.931507
39 2A5 0.717949 0.918919
40 A1R 0.714286 0.907895
41 AU1 0.714286 0.972222
42 ADP PO3 0.708861 0.943662
43 PAP 0.708861 0.985714
44 ATR 0.708861 0.971429
45 SRP 0.707317 0.906667
46 25A 0.702381 0.971831
47 ATP MG 0.7 0.905405
48 OAD 0.697674 0.945205
49 ADV 0.6875 0.932432
50 RBY 0.6875 0.932432
51 00A 0.686047 0.883117
52 BIS 0.681818 0.933333
53 3OD 0.681818 0.945205
54 ADP ALF 0.674699 0.87013
55 ALF ADP 0.674699 0.87013
56 AMO 0.674419 0.932432
57 4AD 0.674419 0.92
58 PAJ 0.674419 0.884615
59 GAP 0.670732 0.893333
60 MAP 0.670588 0.945946
61 ADP VO4 0.666667 0.931507
62 DLL 0.666667 0.931507
63 AHX 0.666667 0.896104
64 ANP MG 0.666667 0.894737
65 PTJ 0.662921 0.896104
66 SON 0.658228 0.932432
67 PR8 0.651685 0.85
68 LAD 0.651685 0.860759
69 ITT 0.65 0.943662
70 G5P 0.648936 0.921053
71 XYA 0.647059 0.84507
72 RAB 0.647059 0.84507
73 ADN 0.647059 0.84507
74 NB8 0.644444 0.896104
75 ME8 0.644444 0.839506
76 FYA 0.644444 0.905405
77 TXA 0.644444 0.932432
78 1ZZ 0.644444 0.839506
79 6AD 0.642857 0.909091
80 ADP BMA 0.640449 0.918919
81 G3A 0.638298 0.921053
82 DAL AMP 0.632184 0.905405
83 AFH 0.631579 0.884615
84 GTA 0.625 0.886076
85 FA5 0.623656 0.906667
86 YAP 0.623656 0.894737
87 UP5 0.622449 0.92
88 XAH 0.617021 0.839506
89 AV2 0.616279 0.917808
90 AOC 0.615385 0.821918
91 NAI 0.606061 0.907895
92 DND 0.606061 0.932432
93 TXD 0.606061 0.907895
94 NAX 0.606061 0.873418
95 NXX 0.606061 0.932432
96 5N5 0.605634 0.819444
97 5AS 0.604938 0.77907
98 A4P 0.60396 0.843373
99 DAT 0.60241 0.905405
100 A2R 0.602273 0.985915
101 5CD 0.597222 0.805556
102 A4D 0.597222 0.819444
103 4TC 0.594059 0.896104
104 AP0 0.594059 0.896104
105 A3P 0.592593 0.971429
106 139 0.592233 0.873418
107 T5A 0.592233 0.841463
108 ATP A A A 0.589474 0.930556
109 LAQ 0.585859 0.839506
110 MYR AMP 0.585106 0.817073
111 YLP 0.58 0.819277
112 UPA 0.578431 0.907895
113 ADJ 0.576923 0.851852
114 3AM 0.576923 0.929577
115 COD 0.575472 0.811765
116 NAD 0.575472 0.931507
117 3AT 0.574713 0.971831
118 EP4 0.573333 0.753247
119 A2P 0.573171 0.957143
120 CNA 0.571429 0.932432
121 TYM 0.568627 0.906667
122 PPS 0.568182 0.873418
123 M2T 0.565789 0.734177
124 DTA 0.565789 0.786667
125 AR6 AR6 0.565657 0.917808
126 A3D 0.564815 0.918919
127 3DH 0.564103 0.773333
128 G5A 0.563218 0.77907
129 YLB 0.563107 0.819277
130 YLC 0.563107 0.839506
131 AMP DBH 0.561224 0.893333
132 MTA 0.558442 0.773333
133 DTP 0.556818 0.905405
134 AHZ 0.554455 0.817073
135 NA7 0.553191 0.958904
136 IOT 0.552381 0.831325
137 ZAS 0.55 0.766234
138 7MD 0.55 0.8625
139 IMO 0.548781 0.929577
140 YLA 0.54717 0.819277
141 NAE 0.544643 0.894737
142 TAD 0.544554 0.884615
143 A5A 0.544444 0.807229
144 2AM 0.544304 0.943662
145 TSB 0.543478 0.819277
146 AYB 0.542056 0.809524
147 NAQ 0.539823 0.871795
148 V3L 0.539326 0.971831
149 AF3 ADP 3PG 0.538462 0.8375
150 ALF ADP 3PG 0.538462 0.8375
151 LA8 ALF 3PG 0.538462 0.8375
152 SSA 0.538462 0.8
153 ZID 0.535088 0.918919
154 LPA AMP 0.533981 0.817073
155 54H 0.532609 0.788235
156 52H 0.532609 0.77907
157 VMS 0.532609 0.788235
158 BTX 0.53211 0.841463
159 A3N 0.53012 0.786667
160 BT5 0.527273 0.831325
161 5CA 0.526882 0.8
162 53H 0.526882 0.77907
163 ARU 0.526316 0.860759
164 EAD 0.525862 0.873418
165 RGT 0.525253 0.958904
166 OVE 0.52439 0.905405
167 S4M 0.52381 0.666667
168 GDP 0.522222 0.92
169 DDS 0.522222 0.878378
170 AVV 0.521277 0.896104
171 NDE 0.521008 0.932432
172 7MC 0.518868 0.841463
173 DSH 0.518072 0.725
174 MAO 0.517647 0.759036
175 NSS 0.515789 0.8
176 DSZ 0.515789 0.8
177 LSS 0.515789 0.761364
178 P5A 0.515464 0.744444
179 DZD 0.513514 0.884615
180 NVA LMS 0.510417 0.761364
181 12D 0.509615 0.785714
182 NAD IBO 0.509091 0.87013
183 M24 0.508772 0.85
184 YLY 0.508772 0.809524
185 P1H 0.508333 0.851852
186 5AD 0.506849 0.746479
187 LEU LMS 0.505155 0.761364
188 4TA 0.504505 0.807229
189 G A A A 0.504505 0.871795
190 NAJ PZO 0.504425 0.848101
191 NDC 0.5 0.871795
192 128 0.5 0.776471
193 A3G 0.5 0.8
194 KAA 0.5 0.752809
195 GSU 0.5 0.77907
196 N0B 0.495726 0.819277
197 NJP 0.495495 0.945946
198 ODP 0.495495 0.909091
199 2SA 0.494624 0.932432
200 6C6 0.494505 0.881579
201 SFG 0.494382 0.75
202 0WD 0.491071 0.921053
203 YSA 0.490196 0.77907
204 PO4 PO4 A A A A PO4 0.489796 0.902778
205 SAM 0.48913 0.690476
206 6IA 0.48913 0.8375
207 A7D 0.488636 0.776316
208 6FA 0.488 0.841463
209 FB0 0.487805 0.804598
210 NAJ PYZ 0.487179 0.85
211 A5D 0.483516 0.786667
212 IDP 0.483516 0.918919
213 SA8 0.483516 0.707317
214 PGS 0.483146 0.883117
215 MHZ 0.483146 0.697674
216 NEC 0.482353 0.746667
217 D5M 0.482353 0.878378
218 DA 0.482353 0.878378
219 NIA 0.481928 0.822785
220 FAD 0.480315 0.851852
221 FAS 0.480315 0.851852
222 FDA 0.48 0.833333
223 N6P 0.479592 0.915493
224 GGZ 0.479167 0.825
225 SAI 0.478261 0.734177
226 SAH 0.478261 0.74359
227 NDP 0.477477 0.921053
228 NPW 0.477477 0.886076
229 AAM 0.476744 0.971429
230 C2R 0.47561 0.90411
231 AMZ 0.47561 0.916667
232 A A A 0.474747 0.905405
233 GTP 0.473684 0.92
234 SMM 0.473684 0.686047
235 TXP 0.473214 0.921053
236 NZQ 0.473214 0.909091
237 A3S 0.47191 0.810811
238 AMP NAD 0.470588 0.881579
239 SFD 0.46875 0.734043
240 AIR 0.468354 0.901408
241 EEM 0.468085 0.690476
242 AAT 0.468085 0.707317
243 J7V 0.466667 0.833333
244 Z5A 0.466667 0.77907
245 FAY 0.462121 0.8625
246 ETB 0.461538 0.833333
247 A3T 0.461538 0.821918
248 DCA 0.461538 0.823529
249 A6D 0.46 0.722892
250 A U 0.459459 0.87013
251 6K6 0.459184 0.930556
252 GEK 0.459184 0.7375
253 RFL 0.458647 0.821429
254 NAP 0.458333 0.945205
255 S7M 0.458333 0.690476
256 WSA 0.454545 0.788235
257 TAP 0.454545 0.907895
258 FNK 0.454545 0.804598
259 COA 0.453782 0.823529
260 101 0.453488 0.878378
261 NA0 0.45082 0.932432
262 PA7 0.449438 0.708861
263 7RP 0.448276 0.928571
264 GP3 0.446809 0.921053
265 TM1 0.446602 0.77381
266 APU 0.446429 0.894737
267 PUA 0.445378 0.884615
268 V1N 0.443396 0.917808
269 7RA 0.443182 0.957747
270 AMX 0.442623 0.833333
271 COS 0.442623 0.804598
272 CAO 0.442623 0.795455
273 30N 0.442623 0.752688
274 QQY 0.44186 0.815789
275 ACK 0.44186 0.861111
276 0UM 0.44 0.698795
277 NHD 0.439655 0.905405
278 SCO 0.439024 0.823529
279 CMX 0.439024 0.823529
280 GCP 0.438776 0.896104
281 8BR 0.438202 0.906667
282 3AD 0.4375 0.805556
283 GNH 0.4375 0.907895
284 FAM 0.435484 0.804598
285 FCX 0.435484 0.795455
286 ACO 0.435484 0.795455
287 GNP 0.434343 0.896104
288 NMX 0.433071 0.76087
289 MGP 0.43299 0.884615
290 PLP AAD 0.432203 0.741573
291 26A 0.432099 0.763158
292 HAX 0.432 0.804598
293 K15 0.431373 0.682353
294 1DG 0.430894 0.921053
295 DG1 0.430894 0.921053
296 QQX 0.430233 0.805195
297 2VA 0.430108 0.8
298 2MC 0.429688 0.769231
299 FYN 0.428571 0.823529
300 P5F 0.428571 0.823529
301 U G A 0.427481 0.839506
302 RMB 0.426966 0.873239
303 FAI 0.426966 0.916667
304 1RB 0.425287 0.885714
305 SOP 0.425197 0.804598
306 OXK 0.425197 0.804598
307 COK 0.425197 0.804598
308 MCD 0.425197 0.804598
309 CA6 0.425197 0.729167
310 G1R 0.424242 0.907895
311 CC5 0.423077 0.816901
312 NOS 0.423077 0.791667
313 F2N 0.422535 0.813953
314 ANZ 0.422018 0.8
315 CMC 0.421875 0.804598
316 CO6 0.421875 0.804598
317 1VU 0.421875 0.795455
318 GDC 0.420561 0.884615
319 GDD 0.420561 0.884615
320 GKE 0.420561 0.884615
321 NFD 0.420168 0.883117
322 GSP 0.42 0.873418
323 D3Y 0.42 0.789474
324 MC4 0.419847 0.76087
325 3L1 0.419753 0.773333
326 3D1 0.419753 0.773333
327 FA9 0.41958 0.864198
328 G 0.419355 0.906667
329 5GP 0.419355 0.906667
330 SCD 0.418605 0.823529
331 CAJ 0.418605 0.804598
332 CMP 0.417582 0.901408
333 2BA 0.417582 0.915493
334 N01 0.416667 0.905405
335 MLC 0.415385 0.804598
336 3HC 0.415385 0.813953
337 1HE 0.415385 0.786517
338 NMN AMP PO4 0.415254 0.87013
339 2FA 0.414634 0.813333
340 MGO 0.414141 0.860759
341 3NZ 0.413462 0.782051
342 YE1 0.412214 0.813953
343 MCA 0.412214 0.795455
344 CAA 0.412214 0.813953
345 GAV 0.411765 0.884615
346 JLN 0.411111 0.890411
347 P2P 0.411111 0.902778
348 ZZB 0.410256 0.77381
349 CNV FAD 0.410072 0.793103
350 2CP 0.409091 0.795455
351 103 0.409091 0.837838
352 SCA 0.409091 0.804598
353 RP1 0.409091 0.842105
354 SP1 0.409091 0.842105
355 PAX 0.408 0.829268
356 FAD NBT 0.407143 0.75
357 NVA 2AD 0.40625 0.74359
358 IRC 0.406015 0.813953
359 3CP 0.406015 0.804598
360 COW 0.406015 0.795455
361 HGG 0.406015 0.804598
362 BYC 0.406015 0.804598
363 2KQ 0.406015 0.786517
364 COF 0.406015 0.786517
365 CA8 0.406015 0.729167
366 1GZ 0.406015 0.795455
367 G2P 0.405941 0.884615
368 SLU 0.404959 0.770115
369 RBZ 0.404494 0.849315
370 1CZ 0.404412 0.795455
371 FAQ 0.402985 0.804598
372 4CA 0.402985 0.795455
373 BCA 0.402985 0.795455
374 MTP 0.402439 0.730769
375 8OD 0.402062 0.945205
376 CO7 0.401515 0.804598
377 DAL FAD PER 0.401408 0.809524
378 GMV 0.4 0.896104
379 HXC 0.4 0.786517
380 ENQ 0.4 0.916667
381 G2R 0.4 0.884615
382 GRA 0.4 0.804598
Similar Binding Sites
Pocket no: 1; Query (leader) PDB : 1F3F; Ligand: D4D; Similar sites found: 247
This union binding pocket (no: 1) in the query (biounit: 1f3f.bio1) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
1 1F3F D4D 3.641e-24 1
2 1UCN ADP 2.647e-13 0.56286
3 1NHK CMP 1.121e-11 0.51921
4 4UOH ADP 3.568e-12 0.483
5 1WKL ATP 8.134e-08 0.46772
6 1ZS6 ADP 1.625e-12 0.45733
7 3NGU ADP 1.526e-08 0.4556
8 2AZ3 CDP 1.844e-09 0.42555
9 1WKL ADP 1.393e-06 0.42358
10 2PWY SAH 0.01716 0.3757
11 2Q1S NAI 0.03662 0.36063
12 3EM1 TYD 0.005913 0.351
13 1GSL FUC 0.00175 0.34458
14 1E4E PHY 0.0008721 0.33886
15 1AUX AGS 0.008674 0.33104
16 2TPL HPP 0.01503 0.33073
17 1XLI GLT 0.02447 0.32993
18 1VE3 SAM 0.03769 0.32843
19 3HF3 FMN 0.03571 0.32795
20 2VAR KDG 0.007579 0.32782
21 2VAR KDF 0.007579 0.32782
22 2C7G ODP 0.02888 0.32768
23 4LNL 2BO 0.01265 0.32512
24 4LNL 2BK 0.01265 0.32512
25 2PTZ PAH 0.0111 0.32417
26 4L7I SAM 0.02238 0.3241
27 4BT5 23B 0.004463 0.32398
28 2NW9 FT6 0.03917 0.32367
29 2YGN PCF 0.01716 0.32333
30 3UIE ADX 0.01459 0.3229
31 3H22 B53 0.01572 0.32201
32 6FIV 3TL 0.01387 0.32201
33 1W7J ADP 0.04804 0.32164
34 2EFJ SAH 0.03341 0.32074
35 3SVL FMN 0.0133 0.32064
36 3KJI ADP 0.01868 0.3204
37 4LNL PLG 0.009076 0.31993
38 3UST FAD 0.01908 0.31906
39 3DCM SAM 0.03059 0.31871
40 1E5F PLP 0.02005 0.31869
41 3LST SAH 0.02049 0.31869
42 2C2A ADP 0.0277 0.3186
43 2RHQ GAX 0.03718 0.3185
44 4LFL TG6 0.01944 0.31836
45 2FYU FDN 0.02584 0.31819
46 4AIG FLX 0.02378 0.31806
47 2CE7 ADP 0.01657 0.31797
48 4BG1 OGA 0.04924 0.31793
49 1UBY DMA 0.04578 0.31785
50 1II5 GLU 0.004113 0.31769
51 4C58 824 0.03405 0.31718
52 1Z42 FMN 0.04592 0.31709
53 2OZE AGS 0.03826 0.31708
54 1KTC NGA 0.006631 0.31687
55 1EB9 HBA 0.04504 0.31643
56 3V1U HXC 0.01351 0.3164
57 4HZO COA 0.01455 0.31635
58 1FDJ 2FP 0.03192 0.31623
59 1UAY ADN 0.01088 0.31566
60 2WA4 069 0.03596 0.31523
61 3B96 MYA 0.0264 0.31452
62 4KCT PYR 0.009061 0.31434
63 2OI2 DP6 0.02088 0.31433
64 2HVW DDN 0.04418 0.31394
65 2AQJ TRP 0.02218 0.31392
66 2YDW WSH 0.01664 0.31359
67 4CCN OGA 0.002593 0.31345
68 1ULE GLA 0.007439 0.3133
69 2ZJ3 G6P 0.01842 0.31316
70 2Z9V PXM 0.004588 0.3129
71 3MD0 GDP 0.02227 0.31282
72 1F74 NAY 0.02871 0.31247
73 4WX0 HXD 0.03493 0.31203
74 4M2K PLP 0.036 0.31202
75 2HVW DCP 0.03216 0.31157
76 1XIU REA 0.01366 0.3114
77 4C6F NCD 0.03201 0.31079
78 1Z48 FMN 0.03162 0.31022
79 1A27 EST 0.04313 0.31022
80 3GM5 CIT 0.005549 0.30985
81 4ME6 ADP 0.0187 0.30965
82 2ZE3 AKG 0.01366 0.30937
83 1I1Q TRP 0.02899 0.30936
84 1YFX 4AA 0.02117 0.30936
85 3IHB GLU 0.002162 0.30897
86 1PX8 XYP 0.01062 0.30895
87 4G28 0W8 0.0151 0.30874
88 1QB7 ADE 0.03274 0.30863
89 3F3E LEU 0.03183 0.30844
90 1P9B HDA 0.004263 0.30835
91 4WBD ADP 0.01038 0.30824
92 2Q8M AMP 0.02052 0.30809
93 2VQ5 HBA 0.03417 0.30802
94 3QP4 HL0 0.03781 0.30777
95 1MZV AMP 0.01616 0.30752
96 1ZGA HMK 0.03058 0.30749
97 3WCS MAN 0.03501 0.30726
98 4C1K PEP 0.01747 0.30718
99 3JQ3 ADP 0.04288 0.30696
100 3P7I P7I 0.009432 0.30678
101 4LHM AZZ 0.008466 0.3065
102 4BI7 PGA 0.01727 0.30631
103 3A1I UNU 0.008782 0.30629
104 1Z44 FMN 0.0181 0.30603
105 1A5V Y3 0.02404 0.30518
106 4DEC UDP 0.01613 0.30514
107 4B7E OGA 0.0134 0.30506
108 2P69 PLP 0.009464 0.30478
109 1KC7 PPR 0.00284 0.30458
110 4COQ SAN 0.0077 0.30451
111 2BOI MFU 0.0116 0.30441
112 1ECM TSA 0.02272 0.30422
113 3W54 RNB 0.04322 0.3041
114 1X8X TYR 0.04228 0.30391
115 1QDS PGA 0.04181 0.3037
116 1Y2W NAG 0.01976 0.30366
117 1GVF PGH 0.03127 0.30361
118 1JK4 CYS 0.03425 0.3036
119 1NNS ASP 0.02245 0.30352
120 1MQ0 BRD 0.04374 0.3035
121 1ZGA SAH 0.02031 0.30349
122 1Q11 TYE 0.008546 0.30334
123 2XUM OGA 0.008041 0.30321
124 1NF8 ISC 0.03106 0.30306
125 1H2K OGA 0.008572 0.30306
126 3P3N AKG 0.008439 0.30302
127 2Y0I AKG 0.008458 0.303
128 2QCX PF1 0.01201 0.30294
129 3LM9 ADP 0.02601 0.30293
130 1GU3 BGC 0.03045 0.30293
131 1R5A GTS 0.01832 0.30261
132 1H2M OGA 0.009089 0.30239
133 4AF5 CIT 0.009628 0.3023
134 3WCS MAN 0.04184 0.30174
135 3RKR NAP 0.03226 0.30171
136 4KGM ATP 0.02005 0.30167
137 3NFZ 3NF 0.04964 0.30149
138 3RGG AIR 0.02322 0.30112
139 4ARF IP8 0.03477 0.3004
140 2EFJ 37T 0.02144 0.30038
141 1RQH PYR 0.02444 0.30034
142 1R6W 164 0.04041 0.30009
143 4G4S LDZ 0.04111 0.2999
144 3QP6 HL6 0.04519 0.29974
145 1UW1 ADP 0.02708 0.29946
146 3O2K DST 0.01293 0.29818
147 3PLN U5P 0.032 0.29816
148 3E4O SIN 0.02979 0.29786
149 1JGS SAL 0.03061 0.29747
150 2NCD ADP 0.03078 0.29741
151 1PFK FBP 0.04051 0.29674
152 4IHQ ADP 0.01848 0.29667
153 2ZYF AKG 0.03207 0.29662
154 3KT7 AKG 0.01107 0.29592
155 2NZU BG6 0.02252 0.29589
156 1WHT BZS 0.03248 0.29559
157 1RYD GLC 0.01235 0.2954
158 3D8C AKG 0.02066 0.29517
159 4CIB 7UZ 0.003832 0.29516
160 3NNF AKG 0.02514 0.29514
161 1HQL GLA 0.01309 0.29506
162 3VKX T3 0.04918 0.29495
163 1YFZ IMP 0.0166 0.29418
164 2PYU IMP 0.02796 0.29401
165 2DWO F6P 0.0388 0.2939
166 1H16 PYR 0.02084 0.29365
167 1NOW IFG 0.02803 0.29359
168 4M5P 23W 0.009958 0.29335
169 1G8S MET 0.007874 0.29298
170 1SOW OXL 0.01186 0.29271
171 1R37 ETX 0.01794 0.2926
172 1U3I GSH 0.04964 0.29193
173 1VBH PEP 0.0496 0.29168
174 3C9E BDP 0.03331 0.29133
175 1GJW GLC 0.005929 0.2911
176 9LDT OXM 0.0046 0.29093
177 1M1B SPV 0.03004 0.2908
178 1RZM PEP 0.02002 0.28992
179 2NVK NAP 0.02995 0.28991
180 2OHV NHL 0.04459 0.28961
181 3UEC ALA 0.04129 0.28908
182 4E28 9MZ 0.04456 0.28885
183 3OCZ SRA 0.0434 0.28855
184 4KSY 1SY 0.04696 0.28833
185 3PMD 11A 0.02541 0.28793
186 1GPJ GMC 0.02604 0.28734
187 4LIT AKG 0.02247 0.28701
188 1B74 DGN 0.004656 0.28635
189 4CCO OGA 0.03292 0.28562
190 3QDY A2G 0.04373 0.28523
191 2FUE M1P 0.04846 0.28486
192 3TFC PEP 0.03962 0.28412
193 1QO0 BMD 0.02661 0.28341
194 4EXO PYR 0.03391 0.2834
195 2HW1 FRU 0.02199 0.28339
196 3PAK MAN 0.02998 0.28325
197 2R00 OEG 0.02981 0.28254
198 4IS0 1R4 0.02971 0.28211
199 3QDV NDG 0.01496 0.2815
200 1JAC AMG 0.005345 0.2813
201 2JFV FLC 0.02912 0.28052
202 1WTC ACP 0.0227 0.28046
203 2FGQ MLT 0.04707 0.28041
204 3QDW A2G 0.005013 0.27954
205 3QDT A2G 0.0248 0.27906
206 3QDX A2G 0.02476 0.27903
207 3QDV A2G 0.01355 0.27898
208 2YIV NBN 0.03179 0.27884
209 3MCT 3MC 0.03193 0.27868
210 3S1W FLC 0.02065 0.27845
211 1A59 CIT 0.03122 0.27821
212 3CL5 SIO 0.04079 0.27774
213 2QLX RM4 0.03274 0.27764
214 1UFY MLI 0.04885 0.2774
215 1IS3 LAT 0.03538 0.27682
216 2Q8H TF4 0.00551 0.27396
217 1BTN I3P 0.01067 0.27385
218 3QDX CBS 0.04342 0.27374
219 3F81 STT 0.02575 0.27339
220 2V5E SCR 0.02123 0.27327
221 1JZN BGC 0.01211 0.27251
222 1O9U ADZ 0.02441 0.27146
223 2X2T GAL 0.004563 0.27135
224 1QH9 LAC 0.02675 0.27128
225 3BHO B4P 0.005134 0.27107
226 1PDZ PGA 0.0311 0.27084
227 1C1L GAL 0.0334 0.27032
228 1V7R CIT 0.02203 0.27015
229 3QDY CBS 0.04062 0.26954
230 3UDG TMP 0.01811 0.26923
231 4M51 BEZ 0.02116 0.268
232 1A5Z OXM 0.04315 0.26464
233 3Q8U ADP 0.01 0.26376
234 3VPD BUA 0.0114 0.26317
235 3R51 MMA 0.04311 0.26287
236 3L24 GOA 0.04899 0.26149
237 4B16 NAG 0.002795 0.26062
238 2XI7 XI7 0.006442 0.25973
239 2ASF CIT 0.01087 0.25941
240 2Q3M MLA 0.02559 0.25737
241 4G0A G 0.01674 0.25697
242 1WGC SIA 0.0474 0.25547
243 1UO4 PIH 0.008057 0.2548
244 1YOA FMN 0.0319 0.25472
245 3UBW 6SP 0.000648 0.25385
246 2BZ1 TAU 0.04401 0.25273
247 3TKA CTN 0.0006513 0.25212
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