Receptor
PDB id Resolution Class Description Source Keywords
4UOH 2.01 Å EC: 2.7.4.6 CRYSTALLOGRAPHIC STRUCTURE OF NUCLEOSIDE DIPHOSPHATE KINASE FROM LITOPENAEUS VANNAMEI COMPLEXED WITH ADP LITOPENAEUS VANNAMEI TRANSFERASE BINARY COMPLEX ADP PURINE WHITE-SHRIMP BINSITE NUCLEOTIDE
Ref.: STRUCTURE OF NUCLEOSIDE DIPHOSPHATE KINASE FROM PAC SHRIMP (LITOPENAEUS VANNAMEI) IN BINARY COMPLEXES W PURINE AND PYRIMIDINE NUCLEOSIDE DIPHOSPHATES ACTA CRYSTALLOGR.,SECT.F V. 79 1150 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADP C:1152;
B:1152;
Valid;
Valid;
none;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
MG B:1153;
Invalid;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4UOH 2.01 Å EC: 2.7.4.6 CRYSTALLOGRAPHIC STRUCTURE OF NUCLEOSIDE DIPHOSPHATE KINASE FROM LITOPENAEUS VANNAMEI COMPLEXED WITH ADP LITOPENAEUS VANNAMEI TRANSFERASE BINARY COMPLEX ADP PURINE WHITE-SHRIMP BINSITE NUCLEOTIDE
Ref.: STRUCTURE OF NUCLEOSIDE DIPHOSPHATE KINASE FROM PAC SHRIMP (LITOPENAEUS VANNAMEI) IN BINARY COMPLEXES W PURINE AND PYRIMIDINE NUCLEOSIDE DIPHOSPHATES ACTA CRYSTALLOGR.,SECT.F V. 79 1150 2014
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 4UOG - YYY C9 H15 N3 O10 P2 C1[C@@H]([....
2 4UOH - 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 : 4UOH; 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: 4uoh.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4UOH; Ligand: ADP; Similar sites found: 151
This union binding pocket(no: 2) in the query (biounit: 4uoh.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3S9K CIT 0.0003036 0.53153 None
2 2YD6 FLC 0.001454 0.49435 None
3 1UO5 PIH 0.003373 0.45989 None
4 3F81 STT 0.00475 0.43344 None
5 1WTC ACP 0.00248 0.43107 None
6 2ALG DAO 0.001475 0.42703 None
7 1TUV VK3 0.009407 0.41916 None
8 1UO4 PIH 0.02283 0.4077 None
9 2QLX RM4 0.008666 0.40706 None
10 4A3X LAT 0.01874 0.40472 None
11 1G0V NAG 0.00137 0.48458 1.3245
12 3P3N AKG 0.006104 0.40755 1.3245
13 1GPJ CIT 0.006795 0.40557 1.3245
14 2Y0I AKG 0.005786 0.40275 1.3245
15 4EXO PYR 0.003796 0.43014 1.36986
16 1Z42 HBA 0.0007069 0.49789 1.98676
17 1Z44 NPO 0.005058 0.45057 1.98676
18 2VQ5 HBA 0.00245 0.4313 1.98676
19 2FPU HSO 0.005735 0.41499 1.98676
20 1OIK AKG 0.005598 0.40915 1.98676
21 3SBZ MLI 0.01826 0.40526 1.98676
22 3L6R MLI 0.01107 0.40236 1.98676
23 2OFD NGA 0.00655 0.40625 2.11268
24 2WCV FUC 0.001829 0.40349 2.14286
25 3IHB TRS 0.02335 0.44672 2.64901
26 2X2T GAL NGA 0.007762 0.42319 2.64901
27 1II5 GLU 0.003057 0.41409 2.64901
28 3IHB GLU 0.006709 0.41198 2.64901
29 2XRH NIO 0.007613 0.40955 3
30 1NU4 MLA 0.01204 0.43061 3.09278
31 1HFA PIO 0.00001638 0.58477 3.31126
32 4AF5 CIT 0.0006089 0.45003 3.31126
33 4B16 NAG 0.006263 0.4361 3.31126
34 2Q09 DI6 0.0008871 0.42346 3.31126
35 4O8A 2OP 0.009039 0.42 3.31126
36 3SCH TB6 0.004206 0.41442 3.31126
37 1WGC SIA GAL BGC 0.01787 0.41311 3.31126
38 3UDG TMP 0.01439 0.41026 3.31126
39 3BRE C2E 0.005609 0.40911 3.31126
40 1ZZ7 S0H 0.003008 0.40862 3.31126
41 2EB5 OXL 0.006185 0.4073 3.31126
42 1OGD RIP 0.003421 0.40641 3.81679
43 3ZGE ASP 0.002999 0.43484 3.97351
44 1H16 PYR 0.003124 0.43402 3.97351
45 1RYI GOA 0.01557 0.42697 3.97351
46 4K7O EKZ 0.00391 0.42234 3.97351
47 1Y9Q MED 0.004252 0.41422 3.97351
48 3B8I OXL 0.02243 0.4081 3.97351
49 5EQU AKG 0.01143 0.40808 3.97351
50 1R37 ETX 0.006421 0.40661 3.97351
51 2HW1 FRU 0.005244 0.4045 3.97351
52 4F8L GAL 0.002537 0.46643 4.13793
53 3TKA CTN 0.0007513 0.51631 4.63576
54 3WKX FUB 0.0009942 0.441 4.63576
55 1TDF FAD 0.005487 0.43979 4.63576
56 1TDF NAP 0.01299 0.43724 4.63576
57 1NX4 AKG 0.001266 0.42974 4.63576
58 1U5V ATP 0.02665 0.41801 4.63576
59 3CBG FER 0.001243 0.4614 5.29801
60 2ZWS PLM 0.005048 0.45062 5.29801
61 1O9U ADZ 0.002359 0.44804 5.29801
62 4N7U 2JA 0.004376 0.43515 5.29801
63 1I0Z OXM 0.007284 0.42451 5.29801
64 3R51 MMA 0.007331 0.42438 5.29801
65 2XDQ MGX 0.007544 0.42378 5.29801
66 1SOW OXL 0.008081 0.42234 5.29801
67 2BO4 FLC 0.004627 0.41911 5.29801
68 2PYU IMP 0.004014 0.40925 5.29801
69 1YHM AHD 0.004934 0.40558 5.29801
70 4C6F DOR 0.001628 0.40533 5.29801
71 4C6F NCD 0.001628 0.40533 5.29801
72 4RJK PYR 0.01507 0.40253 5.29801
73 1YFZ IMP 0.00597 0.4022 5.29801
74 4COQ SAN 0.009081 0.40021 5.29801
75 1Y2W NAG 0.002612 0.4232 5.6338
76 1BTN I3P 0.004687 0.44829 5.66038
77 3MAG 3MA 0.0009439 0.47744 5.96026
78 4B9E FAH 0.001804 0.43717 5.96026
79 2J0W ASP 0.002823 0.42859 5.96026
80 9LDB OXM 0.0105 0.42477 5.96026
81 1GXS DKA 0.01124 0.40813 5.96026
82 4WBD CIT 0.01189 0.40728 5.96026
83 1XX4 BAM 0.01686 0.40694 5.96026
84 1MZV AMP 0.001904 0.40303 5.96026
85 2VWT PYR 0.0119 0.40096 5.96026
86 4JCA CIT 0.005634 0.43842 5.98802
87 3ICV NAG 0.01068 0.42962 6.62252
88 1RQH PYR 0.003299 0.4256 6.62252
89 1Y7P RIP 0.006273 0.42009 6.62252
90 1Y1A GSH 0.02376 0.41989 6.62252
91 3O03 GCO 0.01279 0.41273 6.62252
92 5YAS FAC 0.00364 0.40279 6.62252
93 2IOY RIP 0.01411 0.40275 6.62252
94 2O66 FLC 0.005596 0.40335 6.66667
95 3QDX A2G GAL 0.001641 0.44687 6.99301
96 3QDT A2G GAL 0.001984 0.44309 6.99301
97 3QDY A2G GAL 0.002817 0.43609 6.99301
98 3QDV NDG 0.002972 0.43502 6.99301
99 3QDW NDG 0.002663 0.4297 6.99301
100 3QDY CBS 0.004161 0.42115 6.99301
101 3QDX CBS 0.005352 0.41632 6.99301
102 3QDW A2G 0.008063 0.4071 6.99301
103 3QDV A2G 0.009223 0.40378 6.99301
104 2FUE M1P 0.002764 0.42216 7.28477
105 4M5P MLA 0.01194 0.42197 7.28477
106 3UBW 6SP 0.0171 0.41785 7.28477
107 1DRJ RIP 0.0137 0.40392 7.28477
108 4FGC PQ0 0.001764 0.42386 7.94702
109 2AEB ABH 0.01947 0.40349 7.94702
110 2B7N NTM 0.006409 0.40093 7.94702
111 1KC7 PPR 0.01201 0.40079 7.94702
112 2BZ1 TAU 0.005658 0.448 8.60927
113 3HZL 6PC 0.004201 0.436 8.60927
114 3BLI PYR 0.004721 0.41873 8.60927
115 1O68 KIV 0.003605 0.40551 8.60927
116 3RF4 FUN 0.004403 0.40208 8.62069
117 1OGZ EQU 0.0006667 0.41136 8.8
118 2XI7 XI7 0.003777 0.45729 9.27152
119 1H8G CHT 0.005485 0.44871 9.47368
120 3VPD BUA 0.008627 0.44377 9.93377
121 3VPD CIT 0.006943 0.43385 9.93377
122 3U1T MLI 0.003344 0.42534 9.93377
123 3I0O SMI 0.001969 0.4219 9.93377
124 1IYE PGU 0.001824 0.44446 10.596
125 1A59 CIT 0.004445 0.41988 10.596
126 1M1B SPV 0.006506 0.40067 10.596
127 1DL7 NCH 0.01734 0.42218 11.0092
128 2BLE 5GP 0.01519 0.42797 11.2583
129 2Q3M MLA 0.01377 0.41119 11.2583
130 3NNF AKG 0.008529 0.40137 11.2583
131 4G1V FAD 0.01567 0.40096 11.2583
132 1JAC AMG 0.02831 0.40295 11.2782
133 1C1L GAL BGC 0.009865 0.40457 12.4088
134 3FPZ AHZ 0.00465 0.46167 12.5828
135 1G8S MET 0.0008379 0.44415 12.5828
136 4RNV HBA 0.006291 0.43848 12.5828
137 1VBH PEP 0.003436 0.41202 12.5828
138 4W6Z ETF 0.01123 0.40843 12.5828
139 1H8P PC 0.003149 0.44202 12.844
140 3GM5 CIT 0.004381 0.41367 13.245
141 1DXY COI 0.01544 0.40879 13.9073
142 2ZJ5 ADP 0.004404 0.40761 13.9073
143 1SS4 GSH 0.0007714 0.50194 14.5695
144 1SS4 CIT 0.02565 0.4408 14.5695
145 3CQ5 PMP 0.003519 0.40065 15.894
146 4CCN OGA 0.001665 0.4315 17.1429
147 2ZE3 AKG 0.005448 0.40382 17.2185
148 3CL5 SIO 0.01018 0.40397 17.8808
149 3ZLM ANP 0.008045 0.40032 19.2053
150 3ZPG 5GP 0.0118 0.41442 19.8675
151 2YIV NBN 0.006045 0.41398 20.5298
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