Receptor
PDB id Resolution Class Description Source Keywords
1ZS6 2.3 Å EC: 2.7.4.6 STRUCTURE OF HUMAN NUCLEOSIDE-DIPHOSPHATE KINASE 3 HOMO SAPIENS NUCLEOTIDE METABOLISM APOPTOSIS KINASE TRANSFERASE STRUCGENOMICS STRUCTURAL GENOMICS CONSORTIUM SGC
Ref.: STRUCTURE OF HUMAN NUCLEOSIDE-DIPHOSPHATE KINASE 3 TO BE PUBLISHED
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADP A:201;
B:202;
D:203;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1ZS6 2.3 Å EC: 2.7.4.6 STRUCTURE OF HUMAN NUCLEOSIDE-DIPHOSPHATE KINASE 3 HOMO SAPIENS NUCLEOTIDE METABOLISM APOPTOSIS KINASE TRANSFERASE STRUCGENOMICS STRUCTURAL GENOMICS CONSORTIUM SGC
Ref.: STRUCTURE OF HUMAN NUCLEOSIDE-DIPHOSPHATE KINASE 3 TO BE PUBLISHED
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 1ZS6 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
70% Homology Family (25)
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 1LWX - AZD C10 H15 N5 O10 P2 CC1=CN(C(=....
6 1NDC - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
7 2BEF - BEF ADP n/a n/a
8 1F3F Kd = 21.3 uM D4T C10 H15 N2 O13 P3 CC1=CN(C(=....
9 4CP5 Kd = 452 uM EOI C9 H16 N5 O9 P3 S C[C@H](Cn1....
10 1B4S - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
11 1S5Z - SON C12 H16 N5 O8 P c1nc(c2c(n....
12 1MN7 - ABT C10 H17 B N5 O12 P3 B=P(O)(OC[....
13 3NGU - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
14 1WKL - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
15 1ZS6 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
16 4UOG - YYY C9 H15 N3 O10 P2 C1[C@@H]([....
17 4UOH - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
18 1BE4 - PCG C10 H12 N5 O7 P c1nc2c(n1[....
19 3BBB - DG C10 H14 N5 O7 P c1nc2c(n1[....
20 1NUE - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
21 1BHN - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
22 2HVD - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
23 1UCN Kd = 6 uM ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
24 3BBF - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
25 2HVE - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
50% Homology Family (51)
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 1LWX - AZD C10 H15 N5 O10 P2 CC1=CN(C(=....
6 1NDC - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
7 2BEF - BEF ADP n/a n/a
8 1F3F Kd = 21.3 uM D4T C10 H15 N2 O13 P3 CC1=CN(C(=....
9 4CP5 Kd = 452 uM EOI C9 H16 N5 O9 P3 S C[C@H](Cn1....
10 1B4S - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
11 1S5Z - SON C12 H16 N5 O8 P c1nc(c2c(n....
12 1MN7 - ABT C10 H17 B N5 O12 P3 B=P(O)(OC[....
13 3EVO - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
14 3ELH - DUD C9 H14 N2 O11 P2 C1[C@@H]([....
15 3GP9 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
16 3EJM - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
17 3FBB - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
18 3EMT - DGI C10 H15 N5 O10 P2 c1nc2c(n1[....
19 3FCV - DUD C9 H14 N2 O11 P2 C1[C@@H]([....
20 3EIC - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
21 3EVM - YYY C9 H15 N3 O10 P2 C1[C@@H]([....
22 3B6B - DGI C10 H15 N5 O10 P2 c1nc2c(n1[....
23 3FCW - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
24 2B8Q - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
25 3DKD - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
26 3DDI - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
27 3FBE - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
28 3ETM - CDP C9 H15 N3 O11 P2 C1=CN(C(=O....
29 3GPA - CDP C9 H15 N3 O11 P2 C1=CN(C(=O....
30 3ENA - 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 3NGU - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
34 3Q86 - GTP MG n/a n/a
35 3Q8U - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
36 3Q8V - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
37 1WKL - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
38 1ZS6 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
39 4UOG - YYY C9 H15 N3 O10 P2 C1[C@@H]([....
40 4UOH - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
41 2AZ3 - CDP C9 H15 N3 O11 P2 C1=CN(C(=O....
42 1NHK - CMP C10 H12 N5 O6 P c1nc(c2c(n....
43 1NLK - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
44 1BE4 - PCG C10 H12 N5 O7 P c1nc2c(n1[....
45 3BBB - DG C10 H14 N5 O7 P c1nc2c(n1[....
46 1NUE - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
47 1BHN - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
48 2HVD - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
49 1UCN Kd = 6 uM ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
50 3BBF - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
51 2HVE - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ADP; Similar ligands found: 435
No: Ligand ECFP6 Tc MDL keys Tc
1 ADP 1 1
2 ATP 0.9 1
3 A2D 0.895522 0.971831
4 AQP 0.887324 1
5 5FA 0.887324 1
6 AP5 0.884058 0.971831
7 B4P 0.884058 0.971831
8 BA3 0.869565 0.971831
9 AN2 0.84507 0.985915
10 M33 0.833333 0.958333
11 ACQ 0.826667 0.972222
12 A 0.823529 0.971429
13 AMP 0.823529 0.971429
14 ACP 0.821918 0.972222
15 AR6 0.810811 0.971831
16 APR 0.810811 0.971831
17 ANP 0.802632 0.972222
18 AD9 0.8 0.972222
19 AGS 0.8 0.945946
20 SAP 0.8 0.945946
21 ADX 0.783784 0.873418
22 CA0 0.783784 0.945205
23 TAT 0.779221 0.958904
24 AMP MG 0.774648 0.891892
25 50T 0.773333 0.958333
26 ABM 0.763889 0.917808
27 APC 0.763158 0.958904
28 PRX 0.763158 0.893333
29 ATF 0.759494 0.958904
30 A22 0.753086 0.985915
31 A12 0.743243 0.958904
32 AP2 0.743243 0.958904
33 ADP MG 0.736842 0.905405
34 SRA 0.736111 0.918919
35 ADQ 0.73494 0.945205
36 25L 0.732558 0.985915
37 ADP BEF 0.727273 0.881579
38 BEF ADP 0.727273 0.881579
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 ADP PO3 0.708861 0.943662
44 PAP 0.708861 0.985714
45 ATR 0.708861 0.971429
46 SRP 0.707317 0.906667
47 7D3 0.706667 0.905405
48 25A 0.702381 0.971831
49 ATP MG 0.7 0.905405
50 OAD 0.697674 0.945205
51 RBY 0.6875 0.932432
52 ADV 0.6875 0.932432
53 00A 0.686047 0.883117
54 5SV 0.682353 0.848101
55 8QN 0.682353 0.931507
56 OOB 0.682353 0.931507
57 3OD 0.681818 0.945205
58 BIS 0.681818 0.933333
59 ADP ALF 0.674699 0.87013
60 ALF ADP 0.674699 0.87013
61 AMO 0.674419 0.932432
62 4AD 0.674419 0.92
63 PAJ 0.674419 0.884615
64 GAP 0.670732 0.893333
65 MAP 0.670588 0.945946
66 DLL 0.666667 0.931507
67 ANP MG 0.666667 0.894737
68 VO4 ADP 0.666667 0.931507
69 AHX 0.666667 0.896104
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 LAD 0.651685 0.860759
75 WAQ 0.651685 0.883117
76 PR8 0.651685 0.85
77 ITT 0.65 0.943662
78 7D4 0.65 0.905405
79 G5P 0.648936 0.921053
80 RAB 0.647059 0.84507
81 ADN 0.647059 0.84507
82 XYA 0.647059 0.84507
83 TXA 0.644444 0.932432
84 1ZZ 0.644444 0.839506
85 ME8 0.644444 0.839506
86 NB8 0.644444 0.896104
87 FYA 0.644444 0.905405
88 6AD 0.642857 0.909091
89 ADP BMA 0.640449 0.918919
90 G3A 0.638298 0.921053
91 DAL AMP 0.632184 0.905405
92 AFH 0.631579 0.884615
93 9SN 0.630435 0.871795
94 GTA 0.625 0.886076
95 YAP 0.623656 0.894737
96 FA5 0.623656 0.906667
97 UP5 0.622449 0.92
98 XAH 0.617021 0.839506
99 AV2 0.616279 0.917808
100 AOC 0.615385 0.821918
101 48N 0.612245 0.896104
102 4UV 0.610526 0.894737
103 TXD 0.606061 0.907895
104 DND 0.606061 0.932432
105 NAX 0.606061 0.873418
106 NXX 0.606061 0.932432
107 NAI 0.606061 0.907895
108 6V0 0.606061 0.896104
109 5N5 0.605634 0.819444
110 5AS 0.604938 0.77907
111 A4P 0.60396 0.843373
112 DAT 0.60241 0.905405
113 A2R 0.602273 0.985915
114 TXE 0.6 0.907895
115 OMR 0.6 0.851852
116 4UU 0.597938 0.894737
117 A A 0.597826 0.944444
118 A4D 0.597222 0.819444
119 5CD 0.597222 0.805556
120 AP0 0.594059 0.896104
121 4TC 0.594059 0.896104
122 A3P 0.592593 0.971429
123 139 0.592233 0.873418
124 T5A 0.592233 0.841463
125 7D5 0.592105 0.878378
126 ATP A A A 0.589474 0.930556
127 LAQ 0.585859 0.839506
128 MYR AMP 0.585106 0.817073
129 YLP 0.58 0.819277
130 UPA 0.578431 0.907895
131 7DD 0.578313 0.985714
132 ADJ 0.576923 0.851852
133 3AM 0.576923 0.929577
134 COD 0.575472 0.811765
135 NAD 0.575472 0.931507
136 3AT 0.574713 0.971831
137 JB6 0.574468 0.883117
138 4UW 0.574257 0.860759
139 EP4 0.573333 0.753247
140 A2P 0.573171 0.957143
141 CNA 0.571429 0.932432
142 TYM 0.568627 0.906667
143 PPS 0.568182 0.873418
144 TYR AMP 0.56701 0.881579
145 DTA 0.565789 0.786667
146 M2T 0.565789 0.734177
147 AR6 AR6 0.565657 0.917808
148 A3D 0.564815 0.918919
149 3DH 0.564103 0.773333
150 G5A 0.563218 0.77907
151 YLB 0.563107 0.819277
152 YLC 0.563107 0.839506
153 AMP DBH 0.561224 0.893333
154 MTA 0.558442 0.773333
155 DTP 0.556818 0.905405
156 AHZ 0.554455 0.817073
157 NA7 0.553191 0.958904
158 IOT 0.552381 0.831325
159 7MD 0.55 0.8625
160 ZAS 0.55 0.766234
161 IMO 0.548781 0.929577
162 YLA 0.54717 0.819277
163 NAE 0.544643 0.894737
164 TAD 0.544554 0.884615
165 A5A 0.544444 0.807229
166 2AM 0.544304 0.943662
167 TSB 0.543478 0.819277
168 6RE 0.54321 0.759494
169 AYB 0.542056 0.809524
170 NAQ 0.539823 0.871795
171 V3L 0.539326 0.971831
172 ARG AMP 0.539216 0.829268
173 AF3 ADP 3PG 0.538462 0.8375
174 SSA 0.538462 0.8
175 LA8 ALF 3PG 0.538462 0.8375
176 ALF ADP 3PG 0.538462 0.8375
177 ZID 0.535088 0.918919
178 LPA AMP 0.533981 0.817073
179 54H 0.532609 0.788235
180 52H 0.532609 0.77907
181 VMS 0.532609 0.788235
182 BTX 0.53211 0.841463
183 J7C 0.53012 0.769231
184 A3N 0.53012 0.786667
185 5X8 0.528736 0.763158
186 BT5 0.527273 0.831325
187 5CA 0.526882 0.8
188 53H 0.526882 0.77907
189 ARU 0.526316 0.860759
190 EAD 0.525862 0.873418
191 RGT 0.525253 0.958904
192 OVE 0.52439 0.905405
193 S4M 0.52381 0.666667
194 7DT 0.522727 0.985714
195 GDP 0.522222 0.92
196 DDS 0.522222 0.878378
197 AVV 0.521277 0.896104
198 NDE 0.521008 0.932432
199 7MC 0.518868 0.841463
200 DSH 0.518072 0.725
201 MAO 0.517647 0.759036
202 LSS 0.515789 0.761364
203 DSZ 0.515789 0.8
204 NSS 0.515789 0.8
205 P5A 0.515464 0.744444
206 DZD 0.513514 0.884615
207 NVA LMS 0.510417 0.761364
208 12D 0.509615 0.785714
209 NAD IBO 0.509091 0.87013
210 M24 0.508772 0.85
211 YLY 0.508772 0.809524
212 P1H 0.508333 0.851852
213 5AD 0.506849 0.746479
214 GJV 0.505882 0.75
215 LEU LMS 0.505155 0.761364
216 G A A A 0.504505 0.871795
217 4TA 0.504505 0.807229
218 NAJ PZO 0.504425 0.848101
219 KAA 0.5 0.752809
220 NDC 0.5 0.871795
221 7D7 0.5 0.743243
222 71V 0.5 0.907895
223 A3G 0.5 0.8
224 128 0.5 0.776471
225 GSU 0.5 0.77907
226 N0B 0.495726 0.819277
227 NJP 0.495495 0.945946
228 ODP 0.495495 0.909091
229 2SA 0.494624 0.932432
230 6C6 0.494505 0.881579
231 SFG 0.494382 0.75
232 0WD 0.491071 0.921053
233 YSA 0.490196 0.77907
234 PO4 PO4 A A A A PO4 0.489796 0.902778
235 6IA 0.48913 0.8375
236 SAM 0.48913 0.690476
237 A7D 0.488636 0.776316
238 6FA 0.488 0.841463
239 FB0 0.487805 0.804598
240 NAJ PYZ 0.487179 0.85
241 IDP 0.483516 0.918919
242 A5D 0.483516 0.786667
243 SA8 0.483516 0.707317
244 MHZ 0.483146 0.697674
245 PGS 0.483146 0.883117
246 D5M 0.482353 0.878378
247 DA 0.482353 0.878378
248 NEC 0.482353 0.746667
249 NIA 0.481928 0.822785
250 Y3J 0.480519 0.726027
251 FAD 0.480315 0.851852
252 FAS 0.480315 0.851852
253 FDA 0.48 0.833333
254 N6P 0.479592 0.915493
255 GGZ 0.479167 0.825
256 SAH 0.478261 0.74359
257 SAI 0.478261 0.734177
258 NPW 0.477477 0.886076
259 NDP 0.477477 0.921053
260 AAM 0.476744 0.971429
261 AMZ 0.47561 0.916667
262 C2R 0.47561 0.90411
263 A A A 0.474747 0.905405
264 GTP 0.473684 0.92
265 U A G G 0.473684 0.883117
266 SMM 0.473684 0.686047
267 TXP 0.473214 0.921053
268 NZQ 0.473214 0.909091
269 A3S 0.47191 0.810811
270 AMP NAD 0.470588 0.881579
271 SFD 0.46875 0.734043
272 AIR 0.468354 0.901408
273 AAT 0.468085 0.707317
274 EEM 0.468085 0.690476
275 Z5A 0.466667 0.77907
276 7C5 0.466667 0.818182
277 J7V 0.466667 0.833333
278 62F 0.465649 0.8625
279 FAY 0.462121 0.8625
280 ETB 0.461538 0.833333
281 DCA 0.461538 0.823529
282 A3T 0.461538 0.821918
283 A6D 0.46 0.722892
284 A U 0.459459 0.87013
285 6K6 0.459184 0.930556
286 GEK 0.459184 0.7375
287 RFL 0.458647 0.821429
288 S7M 0.458333 0.690476
289 NAP 0.458333 0.945205
290 4YB 0.457944 0.761364
291 WSA 0.454545 0.788235
292 TAP 0.454545 0.907895
293 FNK 0.454545 0.804598
294 COA 0.453782 0.823529
295 0T1 0.453782 0.823529
296 101 0.453488 0.878378
297 XNP 0.452174 0.873418
298 NA0 0.45082 0.932432
299 7RP 0.448276 0.928571
300 GP3 0.446809 0.921053
301 TM1 0.446602 0.77381
302 APU 0.446429 0.894737
303 PUA 0.445378 0.884615
304 V1N 0.443396 0.917808
305 7RA 0.443182 0.957747
306 30N 0.442623 0.752688
307 CAO 0.442623 0.795455
308 AMX 0.442623 0.833333
309 COS 0.442623 0.804598
310 ACK 0.44186 0.861111
311 QQY 0.44186 0.815789
312 649 0.441441 0.744444
313 0UM 0.44 0.698795
314 NHD 0.439655 0.905405
315 CMX 0.439024 0.823529
316 SCO 0.439024 0.823529
317 GCP 0.438776 0.896104
318 8BR 0.438202 0.906667
319 GNH 0.4375 0.907895
320 3AD 0.4375 0.805556
321 62X 0.435644 0.666667
322 ACO 0.435484 0.795455
323 FCX 0.435484 0.795455
324 FAM 0.435484 0.804598
325 GNP 0.434343 0.896104
326 NMX 0.433071 0.76087
327 MGP 0.43299 0.884615
328 PLP AAD 0.432203 0.741573
329 26A 0.432099 0.763158
330 HAX 0.432 0.804598
331 K15 0.431373 0.682353
332 DG1 0.430894 0.921053
333 1DG 0.430894 0.921053
334 QQX 0.430233 0.805195
335 2VA 0.430108 0.8
336 S8M 0.43 0.759494
337 2MC 0.429688 0.769231
338 3KK 0.428571 0.804598
339 6G0 0.428571 0.884615
340 FYN 0.428571 0.823529
341 P5F 0.428571 0.823529
342 NAD BBN 0.428571 0.841463
343 U G A 0.427481 0.839506
344 AS 0.426966 0.833333
345 FAI 0.426966 0.916667
346 RMB 0.426966 0.873239
347 1RB 0.425287 0.885714
348 MCD 0.425197 0.804598
349 OXK 0.425197 0.804598
350 COK 0.425197 0.804598
351 CA6 0.425197 0.729167
352 SOP 0.425197 0.804598
353 G1R 0.424242 0.907895
354 CC5 0.423077 0.816901
355 SXZ 0.423077 0.710843
356 F2N 0.422535 0.813953
357 NAD CJ3 0.422222 0.811765
358 ANZ 0.422018 0.8
359 CMC 0.421875 0.804598
360 CO6 0.421875 0.804598
361 1VU 0.421875 0.795455
362 ZDA 0.421053 0.864865
363 GDD 0.420561 0.884615
364 GKE 0.420561 0.884615
365 GDC 0.420561 0.884615
366 NFD 0.420168 0.883117
367 GSP 0.42 0.873418
368 D3Y 0.42 0.789474
369 MC4 0.419847 0.76087
370 3L1 0.419753 0.773333
371 3D1 0.419753 0.773333
372 FA9 0.41958 0.864198
373 5GP 0.419355 0.906667
374 G 0.419355 0.906667
375 KB1 0.419048 0.698795
376 SCD 0.418605 0.823529
377 CAJ 0.418605 0.804598
378 2BA 0.417582 0.915493
379 CMP 0.417582 0.901408
380 SO8 0.416667 0.789474
381 N01 0.416667 0.905405
382 VRT 0.416667 0.769231
383 3HC 0.415385 0.813953
384 A1S 0.415385 0.804598
385 BCO 0.415385 0.804598
386 IVC 0.415385 0.813953
387 MLC 0.415385 0.804598
388 1HE 0.415385 0.786517
389 NMN AMP PO4 0.415254 0.87013
390 2FA 0.414634 0.813333
391 MGO 0.414141 0.860759
392 3NZ 0.413462 0.782051
393 MCA 0.412214 0.795455
394 CAA 0.412214 0.813953
395 YE1 0.412214 0.813953
396 COO 0.412214 0.804598
397 GAV 0.411765 0.884615
398 P2P 0.411111 0.902778
399 JLN 0.411111 0.890411
400 ZZB 0.410256 0.77381
401 CNV FAD 0.410072 0.793103
402 SCA 0.409091 0.804598
403 RP1 0.409091 0.842105
404 103 0.409091 0.837838
405 2CP 0.409091 0.795455
406 SP1 0.409091 0.842105
407 PAX 0.408 0.829268
408 FAD NBT 0.407143 0.75
409 NVA 2AD 0.40625 0.74359
410 COW 0.406015 0.795455
411 BYC 0.406015 0.804598
412 2KQ 0.406015 0.786517
413 COF 0.406015 0.786517
414 3CP 0.406015 0.804598
415 IRC 0.406015 0.813953
416 1GZ 0.406015 0.795455
417 HGG 0.406015 0.804598
418 CA8 0.406015 0.729167
419 G2P 0.405941 0.884615
420 SLU 0.404959 0.770115
421 U A C C 0.404959 0.858974
422 RBZ 0.404494 0.849315
423 1CZ 0.404412 0.795455
424 BCA 0.402985 0.795455
425 FAQ 0.402985 0.804598
426 4CA 0.402985 0.795455
427 MTP 0.402439 0.730769
428 8OD 0.402062 0.945205
429 CO7 0.401515 0.804598
430 DAL FAD PER 0.401408 0.809524
431 G2R 0.4 0.884615
432 HXC 0.4 0.786517
433 ENQ 0.4 0.916667
434 GMV 0.4 0.896104
435 GRA 0.4 0.804598
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1ZS6; Ligand: ADP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1zs6.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1ZS6; Ligand: ADP; Similar sites found: 361
This union binding pocket(no: 2) in the query (biounit: 1zs6.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1BTN I3P 0.001368 0.48873 None
2 1SG4 CO8 0.0006872 0.45633 None
3 3H22 B53 0.0004141 0.4391 None
4 3I6B KDO 0.0002242 0.43734 None
5 1J5P NAD 0.002142 0.43727 None
6 3CQD ATP 0.005059 0.43267 None
7 1UO5 PIH 0.01188 0.43092 None
8 3OIG NAD 0.01576 0.42723 None
9 3S9K CIT 0.01995 0.42528 None
10 2VHJ ADP 0.002486 0.42276 None
11 2H6T IVA VAL VAL STA ALA STA 0.002259 0.42035 None
12 1QRD FAD 0.004052 0.4195 None
13 2AQJ FAD 0.03391 0.41178 None
14 2AQJ TRP 0.03288 0.41178 None
15 3DCM SAM 0.004671 0.41171 None
16 3RO7 TDR 0.01044 0.40838 None
17 3O55 FAD 0.0106 0.40531 None
18 1CTU ZEB 0.00588 0.40381 None
19 5RHN 8BR 0.005241 0.4037 None
20 3ZZS TRP 0.02098 0.40367 None
21 1XHL NDP 0.01853 0.40275 None
22 2E1A MSE 0.003621 0.40018 None
23 3F81 STT 0.01008 0.41061 1.18343
24 1X1T NAD 0.04912 0.40984 1.18343
25 3R35 4CO 0.01635 0.40392 1.3245
26 1ULE GLA GAL NAG 0.007482 0.41657 1.33333
27 1UXG FUM 0.003408 0.44122 1.77515
28 1UXG NAD 0.003408 0.44122 1.77515
29 1A8R GTP 0.001228 0.43511 1.77515
30 4NVP 7CH 0.005854 0.42771 1.77515
31 1Q0H NDP 0.01212 0.42517 1.77515
32 3U1T MLI 0.0008655 0.40152 1.77515
33 1Q0H FOM 0.03809 0.40113 1.77515
34 2YGN PCF 0.003584 0.4293 1.92308
35 4LSJ LSJ 0.001681 0.43155 2.36686
36 3GEG NAD 0.005565 0.41987 2.36686
37 3NKS FAD 0.01034 0.41914 2.36686
38 1VQ2 DDN 0.003876 0.41101 2.36686
39 1SNY NAP 0.009666 0.40842 2.36686
40 4WX0 HXD 0.004049 0.40813 2.36686
41 3NKS ACJ 0.004832 0.4051 2.36686
42 2H6B 3C4 0.01229 0.40264 2.36686
43 3TA2 ATP 0.01205 0.41249 2.54237
44 3ZPG 5GP 0.01969 0.40367 2.6178
45 5FIT AP2 0.003477 0.40609 2.72109
46 1DR1 NAP 0.00079 0.46772 2.95858
47 1DR1 HBI 0.00079 0.46772 2.95858
48 1HDR NAD 0.005192 0.44256 2.95858
49 3MPI GRA 0.008413 0.43623 2.95858
50 1I0Z OXM 0.004448 0.43481 2.95858
51 2YVF NAD 0.01186 0.43424 2.95858
52 4N02 FNR 0.01341 0.42626 2.95858
53 1SB8 UD2 0.01776 0.4207 2.95858
54 4W97 UCA 0.00425 0.42027 2.95858
55 3IL6 B83 0.00288 0.42018 2.95858
56 2YVF FAD 0.0264 0.41748 2.95858
57 4GYW UDP 0.009437 0.41532 2.95858
58 1P9P SAH 0.005286 0.41309 2.95858
59 1R0X ATP 0.01147 0.41284 2.95858
60 4N4J HG1 0.02094 0.40811 2.95858
61 1H9G COA MYR 0.01153 0.40521 2.95858
62 2ZB3 NDP 0.01352 0.40496 2.95858
63 1SB8 NAD 0.03805 0.40267 2.95858
64 1YGC 905 0.006406 0.40617 3.1746
65 4F8L GAL 0.02133 0.41737 3.44828
66 1I2B USQ 0.01471 0.42588 3.46535
67 1I2B NAD 0.01471 0.42588 3.46535
68 1I2B UPG 0.01471 0.42588 3.46535
69 1T0S BML 0.0004859 0.47116 3.5503
70 1TDF FAD 0.00258 0.45444 3.5503
71 1T26 NAI 0.01065 0.45047 3.5503
72 1T26 GBD 0.01065 0.45047 3.5503
73 1DXY NAD 0.01028 0.45028 3.5503
74 1TDF NAP 0.009138 0.44442 3.5503
75 3P3N AKG 0.001305 0.43599 3.5503
76 3FC4 EDO 0.009575 0.43367 3.5503
77 4NTD FAD 0.005736 0.43135 3.5503
78 4M5P 23W 0.003764 0.4303 3.5503
79 1VDC FAD 0.01225 0.42495 3.5503
80 3F3E LEU 0.008768 0.42226 3.5503
81 4BG1 OGA 0.00315 0.42048 3.5503
82 4BG1 IVL 0.00315 0.42048 3.5503
83 2R42 FPS 0.002843 0.4204 3.5503
84 2HGZ PBF 0.004924 0.41763 3.5503
85 4FWE FAD 0.01738 0.41482 3.5503
86 2IXB NAD 0.009788 0.41343 3.5503
87 2IXB A2G 0.01472 0.41343 3.5503
88 4IAE 1DX 0.02375 0.41311 3.5503
89 2HXT EHM 0.002806 0.41213 3.5503
90 4CIB 7UZ 0.0007332 0.41157 3.5503
91 1XOC VAL ASP SER LYS ASN THR SER SER TRP 0.01936 0.41008 3.5503
92 1R6W 164 0.004029 0.40822 3.5503
93 1Q3Q ANP 0.03866 0.40787 3.5503
94 3BK2 U5P 0.00402 0.40364 3.5503
95 3DDC GNP 0.00874 0.40881 3.68098
96 2J07 HDF 0.002238 0.45899 4.14201
97 2J07 FAD 0.002238 0.45899 4.14201
98 1KBI FMN 0.00127 0.44522 4.14201
99 1KBI PYR 0.00127 0.44522 4.14201
100 3FPZ AHZ 0.01213 0.44191 4.14201
101 2PTZ PAH 0.0006529 0.43941 4.14201
102 4JK3 NAD 0.002276 0.43761 4.14201
103 2E2R 2OH 0.003306 0.43725 4.14201
104 3GE7 AFQ 0.003215 0.43656 4.14201
105 2QCX PF1 0.0009335 0.43515 4.14201
106 3WO0 ALA 0.004718 0.43289 4.14201
107 3WO0 ADP 0.004718 0.43289 4.14201
108 2NXW TPP 0.006637 0.42186 4.14201
109 4GLJ RHB 0.006796 0.42142 4.14201
110 3HY3 10F 0.003756 0.42085 4.14201
111 4DXJ IPE 0.001087 0.4201 4.14201
112 3ZEI AWH 0.006606 0.41811 4.14201
113 2P1O IHP 0.007443 0.41723 4.14201
114 2P1O NLA 0.007443 0.41723 4.14201
115 4CMF PXG 0.01993 0.41695 4.14201
116 1KDK DHT 0.004905 0.41442 4.14201
117 1BGQ RDC 0.007162 0.41386 4.14201
118 2RHW C0E 0.0353 0.41219 4.14201
119 2Q8H TF4 0.01329 0.41193 4.14201
120 3KO8 NAD 0.0122 0.41055 4.14201
121 3KMZ EQO 0.008783 0.41016 4.14201
122 3V91 UPG 0.0267 0.40967 4.14201
123 1KBJ FMN 0.008883 0.40852 4.14201
124 1F5F DHT 0.004541 0.40827 4.14201
125 4USQ FAD 0.01572 0.40806 4.14201
126 4LXH C1E 0.004654 0.40785 4.14201
127 4QCK ASD 0.01 0.40637 4.14201
128 3CKZ ZMR 0.02566 0.40554 4.14201
129 3WE0 FAD 0.02915 0.40476 4.14201
130 3JYN NDP 0.01799 0.40443 4.14201
131 4HE2 AMP 0.01687 0.40333 4.14201
132 1TO9 HMH 0.0007839 0.40256 4.14201
133 1QY1 PRZ 0.009004 0.40194 4.14201
134 1LC8 33P 0.01449 0.40105 4.14201
135 4LNL 2BO 0.006316 0.4005 4.14201
136 4LNL 2BK 0.006316 0.4005 4.14201
137 1YOA FMN 0.03562 0.40545 4.40252
138 1SS4 GSH 0.0005244 0.50647 4.57516
139 1SS4 CIT 0.007056 0.41591 4.57516
140 1YBH FAD 0.001328 0.46019 4.73373
141 3D3W NAP 0.001476 0.44837 4.73373
142 1X54 4AD 0.001045 0.44542 4.73373
143 2V6O FAD 0.009858 0.44401 4.73373
144 1PR9 NAP 0.002266 0.44306 4.73373
145 1ME8 RVP 0.01494 0.43761 4.73373
146 1FL2 FAD 0.005598 0.43384 4.73373
147 1IM8 SAI 0.001544 0.43305 4.73373
148 1OWB NAD 0.00417 0.42856 4.73373
149 3I28 34N 0.01372 0.42194 4.73373
150 2HGS ADP 0.004652 0.41536 4.73373
151 4JP3 CIT 0.002146 0.41423 4.73373
152 2YPO PHE 0.00907 0.41359 4.73373
153 1XX4 BAM 0.01289 0.41257 4.73373
154 1Q11 TYE 0.002453 0.41211 4.73373
155 1R37 NAD 0.01372 0.41062 4.73373
156 4R33 TRP 0.01394 0.4092 4.73373
157 4R33 SAH 0.01394 0.4092 4.73373
158 1OFH ADP 0.009221 0.40784 4.73373
159 4KCF AKM 0.008665 0.40592 4.73373
160 4LN7 1ZQ 0.006991 0.40081 4.73373
161 3SFI 3SF 0.03164 0.4006 4.73373
162 1FP2 HMO 0.006292 0.40056 4.73373
163 2B82 ADN 0.009946 0.40018 4.73373
164 3FC2 IBI 0.0005769 0.46422 4.77612
165 1DLJ UGA 0.03371 0.40655 4.97512
166 1DLJ NAI 0.03374 0.40653 4.97512
167 2GJ3 FAD 0.004472 0.41247 5
168 1TUV VK3 0.004667 0.43381 5.26316
169 4F4S EFO 0.003785 0.40468 5.26316
170 4BJZ P3A 0.01347 0.4365 5.32544
171 4BJZ FAD 0.01347 0.4365 5.32544
172 4QDF 30Q 0.003855 0.42584 5.32544
173 3OND ADN 0.01418 0.42209 5.32544
174 3OND NAD 0.01418 0.42209 5.32544
175 1REO FAD 0.01037 0.42109 5.32544
176 4J7H TRH 0.002844 0.4204 5.32544
177 3P7I P7I 0.002147 0.4144 5.32544
178 1P72 ADP 0.01191 0.4098 5.32544
179 1C0I FAD 0.02838 0.40691 5.32544
180 1C0I BE2 0.02838 0.40691 5.32544
181 1UKW FAD 0.02333 0.40367 5.32544
182 1OAA OAA 0.03488 0.40126 5.32544
183 4NES UDP 0.007218 0.40026 5.32544
184 2ZSC BTN 0.005352 0.40114 5.67376
185 4CS4 ANP 0.002561 0.44552 5.91716
186 5YAS FAC 0.0003531 0.44176 5.91716
187 1P4C FMN 0.009948 0.44031 5.91716
188 2CSN CKI 0.001566 0.43983 5.91716
189 3UR0 SVR 0.007144 0.43291 5.91716
190 1E7S NAP 0.005482 0.4254 5.91716
191 3Q9T FAY 0.01136 0.41836 5.91716
192 2NLI FMN 0.01986 0.41702 5.91716
193 2NLI LAC 0.01986 0.41702 5.91716
194 3IB8 AMP 0.002788 0.41224 5.91716
195 1JIL 485 0.004577 0.41206 5.91716
196 4CS4 AXZ 0.02433 0.40828 5.91716
197 4KXV TDP DX5 0.02192 0.40583 5.91716
198 1ITZ TPP 0.009792 0.40373 5.91716
199 2WK1 SAH 0.008337 0.40331 5.91716
200 2DTX BMA 0.0272 0.40262 5.91716
201 3PVT 3HC 0.02799 0.40019 5.91716
202 2HMT NAI 0.004378 0.44504 6.25
203 1HFS L04 0.01478 0.40697 6.25
204 2BNE U5P 0.00342 0.43602 6.50888
205 3T31 DCQ 0.01036 0.43427 6.50888
206 3T31 FAD 0.00964 0.43427 6.50888
207 1ECC PCP 0.001932 0.43271 6.50888
208 2B4Q NAP 0.005468 0.42291 6.50888
209 1WVG APR 0.006188 0.41505 6.50888
210 2NCD ADP 0.003807 0.41019 6.50888
211 4MP8 MLI 0.0189 0.40769 6.50888
212 4MP8 NAD 0.0189 0.40769 6.50888
213 3JDW ORN 0.004467 0.40645 6.50888
214 3QQA TCH 0.009014 0.4036 6.50888
215 2XDQ MGX 0.02054 0.40279 6.50888
216 3MAG 3MA 0.0007735 0.48178 7.10059
217 1QF5 RPL 0.005442 0.4408 7.10059
218 1QF5 GDP 0.005442 0.4408 7.10059
219 2ZJ3 G6P 0.001606 0.4304 7.10059
220 1GR0 NAD 0.01935 0.43016 7.10059
221 4G1V FAD 0.003532 0.42669 7.10059
222 1A59 COA 0.001784 0.42654 7.10059
223 1RYI FAD 0.01141 0.42296 7.10059
224 3PC3 P1T 0.003311 0.4196 7.10059
225 1LVL FAD 0.01746 0.41473 7.10059
226 4G09 0VD 0.002829 0.41428 7.10059
227 3MCT SAH 0.004901 0.41269 7.10059
228 4U9W COA 0.004208 0.40959 7.10059
229 2OD9 A1R NCA 0.01143 0.40932 7.10059
230 1JSH SIA GAL 0.007296 0.40736 7.10059
231 1RYI GOA 0.03439 0.40154 7.10059
232 1Z44 NPO 0.005118 0.4503 7.69231
233 1WUR 8DG 0.001023 0.44221 7.69231
234 1H6C NDP 0.006694 0.42737 7.69231
235 2FWP ICR 0.00661 0.42543 7.69231
236 2P2V CSF 0.02118 0.41575 7.69231
237 2RDT FMN 0.0248 0.41547 7.69231
238 2RDT 2RD 0.0337 0.41547 7.69231
239 1XLI GLT 0.01089 0.41382 7.69231
240 2GGH NLQ 0.01374 0.41166 7.69231
241 4K5S FAD 0.01486 0.408 7.69231
242 2YBQ UP2 0.01996 0.40564 7.69231
243 1RYD NDP 0.02114 0.40555 7.69231
244 4CCO OGA 0.003649 0.40531 7.69231
245 4K5S PM0 0.03549 0.40479 7.69231
246 3QO8 SSA 0.004983 0.40457 7.69231
247 3PNL ADP 0.009299 0.40305 7.69231
248 1WHT BZS 0.000629 0.40155 7.69231
249 2D0V PQQ 0.008463 0.40128 7.69231
250 1Z48 FMN 0.00615 0.40096 7.69231
251 2V5E SCR 0.005902 0.4374 7.92079
252 4K30 NLG 0.003223 0.40743 8.125
253 4O8A FAD 0.001807 0.44464 8.28402
254 4IOK ADP 0.001467 0.44261 8.28402
255 1TIW FAD 0.00322 0.44229 8.28402
256 1TIW TFB 0.00322 0.44229 8.28402
257 1O9U ADZ 0.004391 0.43508 8.28402
258 1Q7E MET 0.003136 0.42885 8.28402
259 1I7L ATP 0.002885 0.42556 8.28402
260 2BTO GTP 0.01321 0.4155 8.28402
261 2XK9 XK9 0.01115 0.4145 8.28402
262 4NM5 ADP 0.007102 0.40784 8.28402
263 3A2Q ACA ACA 0.007223 0.40025 8.28402
264 2QLX RM4 0.008558 0.4073 8.33333
265 3RF4 FUN 0.002398 0.4125 8.62069
266 4DEM YS4 0.006337 0.45637 8.87574
267 1E4E PHY 0.0004048 0.4476 8.87574
268 3P0K FAD 0.0008118 0.4463 8.87574
269 1H82 FAD 0.006433 0.44375 8.87574
270 1H82 GZZ 0.007146 0.44375 8.87574
271 1M5B BN1 0.009889 0.43519 8.87574
272 1UMP SQA 0.00224 0.43338 8.87574
273 2GSD NAD 0.006341 0.42621 8.87574
274 1KOL NAD 0.008945 0.42083 8.87574
275 3MA0 XYP 0.006325 0.42004 8.87574
276 2YC5 6BC 0.01302 0.41268 8.87574
277 1GSA ADP 0.02396 0.4118 8.87574
278 3O7B SAH 0.004696 0.4097 8.87574
279 4NAT 2W5 0.01123 0.41757 9.375
280 1FIQ MTE 0.003444 0.43141 9.46746
281 1FIQ SAL 0.003966 0.43141 9.46746
282 1NVV GNP 0.00283 0.42917 9.46746
283 4HA6 FAD 0.009581 0.42634 9.46746
284 4B8V NDG NAG NAG NAG 0.004212 0.4235 9.46746
285 2D37 NAD 0.006603 0.41675 9.46746
286 2YB9 HA0 0.007666 0.41669 9.46746
287 2QA1 FAD 0.01168 0.41473 9.46746
288 2D37 FMN 0.008567 0.41061 9.46746
289 1T8U A3P 0.005743 0.40808 9.46746
290 1T8U UAP SGN IDS SGN 0.02135 0.40633 9.46746
291 2NU8 COA 0.01297 0.40307 9.46746
292 1EP2 ORO 0.005169 0.4289 10.0592
293 2VBQ BSJ 0.005181 0.42886 10.0592
294 2Q97 ATP 0.004814 0.41475 10.0592
295 4L6C 0BT 0.00615 0.4104 10.0592
296 1PGP 6PG 0.01568 0.41022 10.0592
297 1EP2 FAD 0.007656 0.40813 10.0592
298 1EP2 FMN 0.0108 0.40778 10.0592
299 3CL7 HYN 0.008516 0.40778 10.0592
300 4PLG NAI 0.02015 0.40646 10.0592
301 4PLG OXM 0.02015 0.40646 10.0592
302 1PX8 XYP 0.001105 0.40573 10.0592
303 4RJK PYR 0.01593 0.40142 10.0592
304 4IVG ANP 0.007244 0.43686 10.6509
305 1WNG SAH 0.002959 0.41971 10.6509
306 4FR3 0V4 0.03707 0.41516 10.6509
307 1T0I FMN 0.005403 0.40726 10.6509
308 1L2T ATP 0.0002706 0.46773 11.2426
309 1D6H COA 0.00623 0.43465 11.2426
310 3LZW NAP 0.01803 0.42387 11.2426
311 3LZW FAD 0.008503 0.42387 11.2426
312 1N6B DMZ 0.008829 0.42213 11.2426
313 1L1Q 9DA 0.006658 0.40549 11.2426
314 3D2Y AH0 ALA FGA LYS 0.006054 0.40528 11.2426
315 1LTH NAD 0.04511 0.40212 11.2426
316 2XBP ATP 0.02204 0.41227 11.5044
317 2C7G FAD 0.0009174 0.48161 11.8343
318 2C7G ODP 0.0008797 0.48161 11.8343
319 1V35 NAI 0.009393 0.4249 11.8343
320 1SOW NAD 0.006736 0.42158 11.8343
321 4M2K PLP 0.001985 0.41013 11.8343
322 3VKX T3 0.00766 0.40392 11.8343
323 1OGZ EQU 0.0009688 0.42764 12
324 2WCV FUC 0.003208 0.40218 12.1429
325 2R40 EPH 0.001507 0.44729 12.426
326 3UXL CFI 0.02824 0.42816 12.426
327 4C0X FMN 0.004536 0.42215 12.426
328 4C0X AQN 0.006109 0.42215 12.426
329 3VPD ANP 0.004427 0.41448 12.426
330 4PO2 ASN ARG LEU LEU LEU THR GLY 0.008812 0.40401 12.426
331 2R40 20E 0.01082 0.40347 12.426
332 1B8U OAA 0.004898 0.4275 13.0178
333 1G0N NDP 0.02078 0.40685 13.0178
334 1B8U NAD 0.007398 0.40542 13.0178
335 2R14 TXD 0.01936 0.40077 13.0178
336 2D2I NAP 0.009024 0.40674 13.1579
337 4OYA 1VE 0.005522 0.4661 13.6095
338 2HW1 ANP 0.001008 0.44055 13.6095
339 4O1M NAD 0.01516 0.4041 13.6095
340 2RGH FAD 0.002334 0.45053 14.2012
341 2NVK FAD 0.01375 0.41757 14.2012
342 4NE2 ADP 0.01705 0.40653 14.2012
343 4NE2 SH2 0.02428 0.40091 14.2012
344 3RKR NAP 0.00424 0.40023 14.2012
345 4GQB 0XU 0.03227 0.40883 14.7929
346 2BKA NDP 0.01206 0.40706 14.7929
347 9LDT NAD 0.01145 0.41052 15.9763
348 1HV9 UD1 0.01377 0.4202 16.568
349 3BY8 MLT 0.005693 0.41514 17.6056
350 1TU3 GNP 0.00237 0.43236 17.7215
351 1P9B GDP 0.002378 0.41945 18.3432
352 2V7T SAH 0.04034 0.42062 18.9349
353 1A27 NAP 0.006403 0.42 19.5266
354 4B4D FAD 0.00496 0.41248 19.5266
355 4OJ8 AKG 0.0005832 0.44813 20.1183
356 1JQI FAD 0.01175 0.41567 20.1183
357 4OJ8 2TQ 0.007459 0.40697 20.1183
358 1BUC CAA 0.00159 0.4379 20.7101
359 4AT0 FAD 0.002513 0.45585 23.0769
360 1H6W SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.008737 0.43278 23.0769
361 4W6Z 8ID 0.02231 0.40353 28.4024
Pocket No.: 3; Query (leader) PDB : 1ZS6; Ligand: ADP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1zs6.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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