Receptor
PDB id Resolution Class Description Source Keywords
1HTW 1.7 Å NON-ENZYME: OTHER COMPLEX OF HI0065 WITH ADP AND MAGNESIUM HAEMOPHILUS INFLUENZAE NUCLEOTIDE-BINDING FOLD STRUCTURAL GENOMICS STRUCTURE 2 FUNCTION PROJECT S2F UNKNOWN FUNCTION
Ref.: CRYSTAL STRUCTURE OF THE YJEE PROTEIN FROM HAEMOPHILUS INFLUENZAE: A PUTATIVE ATPASE INVOLVED IN CELL WALL SYNTHESIS PROTEINS V. 48 220 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT A:570;
Invalid;
none;
submit data
59.044 C2 H3 O2 CC(=O...
ADP A:560;
B:660;
C:760;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
MG A:561;
A:562;
B:661;
C:761;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
NA A:563;
B:663;
C:763;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
22.99 Na [Na+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1HTW 1.7 Å NON-ENZYME: OTHER COMPLEX OF HI0065 WITH ADP AND MAGNESIUM HAEMOPHILUS INFLUENZAE NUCLEOTIDE-BINDING FOLD STRUCTURAL GENOMICS STRUCTURE 2 FUNCTION PROJECT S2F UNKNOWN FUNCTION
Ref.: CRYSTAL STRUCTURE OF THE YJEE PROTEIN FROM HAEMOPHILUS INFLUENZAE: A PUTATIVE ATPASE INVOLVED IN CELL WALL SYNTHESIS PROTEINS V. 48 220 2002
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 1HTW - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 1HTW - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 1HTW - 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 : 1HTW; Ligand: ADP; Similar sites found: 419
This union binding pocket(no: 1) in the query (biounit: 1htw.bio3) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5GVR LMR 0.0002032 0.49171 None
2 5KSP GDP 0.0001015 0.49086 None
3 2CHG ANP 0.00005972 0.46766 None
4 4U5X GNP 0.00004986 0.46115 None
5 1XX6 ADP 0.0007712 0.45594 None
6 1HE1 GDP 0.00007683 0.44364 None
7 1EK0 GNP 0.00004161 0.4234 None
8 1NU4 MLA 0.02159 0.41492 None
9 1MH1 GNP 0.00008803 0.40846 None
10 1X1R GDP 0.0000876 0.40713 None
11 3SBD GNP 0.0001348 0.40615 None
12 2WJH GDP 0.00004266 0.50809 1.89873
13 2WJH FLC 0.0002935 0.47249 1.89873
14 1KAO GDP 0.00004621 0.47111 1.89873
15 4UZI IMD 0.001964 0.46065 1.89873
16 3RWO GDP 0.00005994 0.42153 1.89873
17 4IDN GNP 0.0003021 0.41798 1.89873
18 5UQW GDP 0.00003221 0.43359 2.1164
19 3KUD GDP 0.0000502 0.45126 2.40964
20 4DCT GDP 0.00004371 0.50761 2.53165
21 5XCO GDP 0.00003066 0.48942 2.53165
22 2PL3 ADP 0.0002816 0.48279 2.53165
23 5UFQ GNP 0.00004762 0.42072 2.53165
24 4DSU GDP 0.00008351 0.40825 2.53165
25 3DC4 ADP 0.000005103 0.57582 3.16456
26 3W5J GDP 0.00001049 0.57059 3.16456
27 3PQC GDP 0.00007941 0.48348 3.16456
28 1Z6T ADP 0.0001677 0.44802 3.16456
29 1LFD GNP 0.0001205 0.40903 3.44828
30 2VVG ADP 0.00000005283 0.70788 3.79747
31 1M7G AV2 0.000000868 0.60384 3.79747
32 2QN6 GDP 0.000004407 0.56983 3.79747
33 1V8K ANP 0.000009038 0.54662 3.79747
34 5BQ5 ADP BEF 0.000005921 0.5322 3.79747
35 1DS6 GDP 0.00002712 0.52421 3.79747
36 1CR1 TTP 0.00004646 0.51997 3.79747
37 1SQ5 ADP 0.00002999 0.5151 3.79747
38 3T1O GDP 0.00002501 0.50585 3.79747
39 1U0J ADP 0.000337 0.47903 3.79747
40 4ZNL BEF ADP 0.0001918 0.47821 3.79747
41 5KSZ GCP 0.0001795 0.4684 3.79747
42 3QF7 ANP 0.00004651 0.45855 3.79747
43 4RD0 GDP 0.00002661 0.45338 3.79747
44 3T12 GDP ALF 0.00004611 0.44615 3.79747
45 2FJU GSP 0.00009316 0.44169 3.79747
46 1WQ1 GDP 0.00006993 0.42935 3.79747
47 2BME GNP 0.00004213 0.42334 3.79747
48 1WQ1 AF3 0.009234 0.42322 3.79747
49 4H1V GNP 0.001019 0.4214 3.79747
50 3RAB GNP 0.00005493 0.41935 3.79747
51 1M7G ADP 0.0000199 0.41448 3.79747
52 5O2T GSP 0.00005409 0.41395 3.79747
53 1G8S MET 0.01534 0.40959 3.79747
54 1M7G ADX 0.00001179 0.40833 3.79747
55 4K81 GTP 0.00009327 0.40452 3.79747
56 3COB ADP 0.0000005679 0.64115 4.43038
57 1Z0A GDP 0.00000923 0.5244 4.43038
58 5GJC ATP 0.00003223 0.52069 4.43038
59 2A5J GDP 0.00001787 0.5119 4.43038
60 2DPY ADP 0.0002832 0.4894 4.43038
61 4FCW ADP 0.0001857 0.47884 4.43038
62 2G77 GDP 0.00003643 0.47672 4.43038
63 4LJ9 ACP 0.0004448 0.46716 4.43038
64 1OYY AGS 0.001207 0.4468 4.43038
65 1R4A GNP 0.00001928 0.4461 4.43038
66 1CXZ GSP 0.00004984 0.44466 4.43038
67 1Z06 GNP 0.00007174 0.42498 4.43038
68 1Z08 GNP 0.0002057 0.41603 4.43038
69 2XTZ GSP 0.00008763 0.41302 4.43038
70 1NVU GTP 0.0001047 0.40391 4.43038
71 1NVV GNP 0.0001298 0.40199 4.43038
72 1WF3 GNP 0.0001626 0.40144 4.43038
73 4AG5 ADP 0.000005983 0.57934 5.06329
74 1OXV ANP 0.000004625 0.56882 5.06329
75 2ZFI ADP 0.000004417 0.56123 5.06329
76 1Z0F GDP 0.000005353 0.54936 5.06329
77 4LPS GDP 0.0000065 0.54551 5.06329
78 5N69 ADP 0.000004903 0.52244 5.06329
79 1RRC ADP 0.0000009703 0.50746 5.06329
80 2IS6 ADP 0.0000659 0.50611 5.06329
81 2OM2 GDP 0.000007788 0.48302 5.06329
82 2JLR ANP 0.00007185 0.47224 5.06329
83 1GOT GDP 0.0000105 0.46931 5.06329
84 3A1S GDP 0.0003421 0.4667 5.06329
85 3DKP ADP 0.0005639 0.46232 5.06329
86 1FQK GDP 0.00002272 0.44874 5.06329
87 2BEK ATP 0.0001162 0.43522 5.06329
88 3BC1 GNP 0.00002391 0.43007 5.06329
89 1BH2 GSP 0.00005502 0.40745 5.06329
90 2J0W ASP 0.0183 0.40663 5.06329
91 3IUY AMP 0.007275 0.40584 5.06329
92 3ZQ6 ADP ALF 0.00002594 0.42962 5.24691
93 1NF3 GNP 0.00008038 0.41379 5.46875
94 1GOJ ADP 0.00000004094 0.71396 5.6962
95 1JJ7 ADP 0.0000001257 0.69072 5.6962
96 4U00 ADP 0.0000005004 0.65104 5.6962
97 1JWY ADP 0.000003835 0.556 5.6962
98 2GDJ ANP 0.00001421 0.53739 5.6962
99 3BFV ADP 0.00001677 0.53401 5.6962
100 1G7S GDP 0.00001168 0.53386 5.6962
101 2Q2Y ADP 0.0002231 0.51565 5.6962
102 2Q2Y MKR 0.0002279 0.51392 5.6962
103 4DID GDP 0.00004069 0.50904 5.6962
104 1W7J ADP BEF 0.000007603 0.5032 5.6962
105 1R6B ADP 0.00008117 0.4953 5.6962
106 1D5C GDP 0.00002032 0.48531 5.6962
107 4QOS ADP 0.00008161 0.48313 5.6962
108 1JWY GDP 0.0001804 0.4586 5.6962
109 3FYH ADP 0.00001334 0.44323 5.6962
110 2ZEJ GDP 0.00001221 0.43839 5.6962
111 2IXE ATP 0.00005722 0.4351 5.6962
112 4YS0 ADP 0.00145 0.41273 5.6962
113 3NHB ADP 0.000001174 0.61702 6.32911
114 2D2F ADP 0.000004655 0.60204 6.32911
115 2HT6 GDP 0.000001623 0.59074 6.32911
116 1KK1 GNP 0.000003086 0.57729 6.32911
117 2CJW GDP 0.000002478 0.57301 6.32911
118 3BOS CDP 0.00003665 0.51807 6.32911
119 1GWN GTP 0.00006583 0.51282 6.32911
120 2CE7 ADP 0.00005404 0.50638 6.32911
121 5KDO GDP 0.000007663 0.48302 6.32911
122 1KO8 6PG 0.00003362 0.47354 6.32911
123 3FWY ADP 0.00004436 0.47295 6.32911
124 5L3W GDP 0.0001824 0.46875 6.32911
125 1GP2 GDP 0.00001306 0.46031 6.32911
126 1Y3A GDP 0.00001096 0.46027 6.32911
127 4ZG4 VO4 ADP 0.000009817 0.45826 6.32911
128 2FH5 GTP 0.00005168 0.4514 6.32911
129 1IHU AF3 0.00004408 0.45107 6.32911
130 1M7B GTP 0.00006511 0.44637 6.32911
131 2FAH GDP 0.0004038 0.44481 6.32911
132 4P32 ADP 0.00003762 0.44235 6.32911
133 1IHU ADP 0.00004912 0.44226 6.32911
134 3B7G ANP 0.001421 0.43838 6.32911
135 1K6M AGS 0.0002251 0.41418 6.32911
136 2C5L GTP 0.00005857 0.41338 6.32911
137 1E96 GTP 0.0000974 0.41179 6.32911
138 2ODE ALF GDP 0.00006919 0.40388 6.32911
139 1SVK ALF GDP 0.00006328 0.40097 6.32911
140 1BG2 ADP 0.0000003494 0.66393 6.96203
141 2KIN ADP 0.0000004266 0.65877 6.96203
142 5M04 GDP 0.000002014 0.58622 6.96203
143 3E70 GDP 0.0001424 0.48412 6.96203
144 1G41 ADP 0.00008487 0.48203 6.96203
145 3DEF GDP 0.0001012 0.46803 6.96203
146 2W2X GSP 0.00003664 0.45819 6.96203
147 4ITR GDP 0.00006201 0.45763 6.96203
148 1G4U GDP 0.0000906 0.45216 6.96203
149 1G16 GDP 0.00003358 0.45081 6.96203
150 4M9Q GNP 0.00003223 0.45073 6.96203
151 5HR5 ADP 0.0002287 0.44319 6.96203
152 4V0K GDP 0.0001527 0.41508 6.96203
153 1YZN GNP 0.00005495 0.4138 6.96203
154 4NON GDP 0.00008738 0.40511 6.96203
155 2J5V PCA 0.03422 0.40333 6.96203
156 1GUA GNP 0.0001356 0.40255 6.96203
157 4HDO GNP 0.0001512 0.40156 6.96203
158 2UZI GTP 0.00005358 0.42017 7.01754
159 1T5C ADP 0.0000002618 0.66959 7.59494
160 5CK5 GDP 0.000000918 0.60267 7.59494
161 1JI0 ATP 0.000001987 0.59612 7.59494
162 1RE0 GDP 0.00000147 0.59282 7.59494
163 3IIJ ADP 0.000001338 0.58558 7.59494
164 4PFO ADP 0.00001004 0.56086 7.59494
165 2VF7 ADP 0.00003462 0.51225 7.59494
166 4HSE ADP 0.00003979 0.50948 7.59494
167 5LB3 ADP 0.0001123 0.50203 7.59494
168 2IYL GDP 0.00009847 0.49792 7.59494
169 1W0J ADP 0.0001034 0.49612 7.59494
170 2BVN GNP 0.00002465 0.49432 7.59494
171 1VHT BA3 0.00008817 0.48381 7.59494
172 1W0J ADP BEF 0.0003031 0.47923 7.59494
173 1FP6 ADP 0.00006123 0.47764 7.59494
174 3TBK ANP 0.0006345 0.47205 7.59494
175 1UPT GTP 0.00001148 0.46752 7.59494
176 2VB6 ADP BEF 0.000007859 0.46192 7.59494
177 1O3Y GTP 0.0000103 0.45958 7.59494
178 1J2J GTP 0.00001171 0.45639 7.59494
179 1FNN ADP 0.00009284 0.44957 7.59494
180 3DZD ADP 0.0004033 0.44397 7.59494
181 4BAS GNP 0.00006321 0.44108 7.59494
182 1YVD GNP 0.00003994 0.42459 7.59494
183 2XTN GTP 0.0001422 0.42211 7.59494
184 3QKT ANP 0.00007574 0.41812 7.59494
185 4WOP CTP 0.0006102 0.4144 8
186 2AWN ADP 0.0000001177 0.69243 8.22785
187 4WZ6 ATP 0.0000008667 0.62406 8.22785
188 1F9V ADP 0.000001657 0.60862 8.22785
189 4KFU ACP 0.000005831 0.58051 8.22785
190 1DAR GDP 0.000009181 0.5463 8.22785
191 1SVI GDP 0.00002146 0.53668 8.22785
192 1MKY GDP 0.00001494 0.53637 8.22785
193 5X40 ACP 0.00004521 0.52512 8.22785
194 3AB3 GDP 0.0000759 0.5099 8.22785
195 1YRB GDP 0.00001138 0.50711 8.22785
196 4R98 GNH 0.0000644 0.50658 8.22785
197 1NJF ADP 0.00008748 0.5046 8.22785
198 3ZFD ANP 0.00002754 0.50214 8.22785
199 1NJF AGS 0.0001521 0.49783 8.22785
200 2BCG GDP 0.00003829 0.46581 8.22785
201 2C9O ADP 0.00005575 0.4497 8.22785
202 4R2I ANP 0.002102 0.44626 8.22785
203 2WKQ GTP 0.00008257 0.42745 8.22785
204 3RLF ANP 0.00006498 0.42536 8.22785
205 3MJH GTP 0.00004033 0.4236 8.22785
206 3CX8 GSP 0.00003148 0.41305 8.22785
207 3BER AMP 0.01031 0.40296 8.22785
208 1QHH ATP 0.008595 0.40251 8.22785
209 2XT3 ADP 0.000000628 0.63879 8.86076
210 1LVG ADP 0.0000004917 0.62616 8.86076
211 4MKF AP5 0.00002435 0.56567 8.86076
212 4YMU ATP 0.0000183 0.54002 8.86076
213 2FFQ GSP 0.00007375 0.52103 8.86076
214 4QM7 GTP 0.00003842 0.51711 8.86076
215 3KTA AP5 0.00006548 0.47398 8.86076
216 2C77 GNP 0.00003483 0.45835 8.86076
217 5JBE MAL 0.004449 0.44855 8.86076
218 2C78 GNP 0.00004242 0.44752 8.86076
219 3REF GDP 0.00008125 0.43582 8.86076
220 4PJ3 ANP 0.001019 0.42926 8.86076
221 1YZQ GNP 0.00005274 0.41378 8.86076
222 1XEX ATP 0.0001216 0.40421 8.86076
223 3QBT GNP 0.00003836 0.42463 9.28571
224 3Q85 GNP 0.000006557 0.55317 9.49367
225 1D8T GDP 0.00001041 0.54374 9.49367
226 5HCN GCP 0.0000596 0.50145 9.49367
227 1XMV ADP 0.00008067 0.49543 9.49367
228 3FVQ ATP 0.00006829 0.4415 9.49367
229 2F9L GDP 0.00003695 0.44104 9.49367
230 2D7C GTP 0.00003686 0.42616 9.49367
231 1S8F GDP 0.00002223 0.42145 9.49367
232 1L2T ATP 0.00007065 0.41658 9.49367
233 1FQJ GDP 0.00003904 0.44218 9.52381
234 2W58 ADP 0.000001239 0.63057 10.1266
235 3MD0 GDP 0.000001619 0.5908 10.1266
236 1MR3 G3D 0.00000544 0.54905 10.1266
237 2HV8 GTP 0.00004523 0.52933 10.1266
238 4C4P GNP 0.00005245 0.5282 10.1266
239 1ION ADP 0.000009341 0.52423 10.1266
240 1G6O ADP 0.00006007 0.48821 10.1266
241 2ZPA ADP 0.0002195 0.48583 10.1266
242 2A5F GTP 0.00001478 0.44958 10.1266
243 5H56 ADP 0.000002626 0.43617 10.1266
244 5H56 TYD 0.000002626 0.43617 10.1266
245 1H65 GDP 0.0001896 0.42306 10.1266
246 3DDC GNP 0.0001155 0.40324 10.1266
247 2JAQ DCP 0.000449 0.40253 10.1266
248 4FRZ ADP 0.000001157 0.61692 10.7595
249 3B5J 12D 0.000003726 0.58259 10.7595
250 2OG2 MLI 0.000008427 0.57246 10.7595
251 3A4M ADP 0.000006161 0.57177 10.7595
252 3B9Q MLI 0.00004175 0.53783 10.7595
253 4LC1 GDP 0.00001466 0.53676 10.7595
254 1G3Q ADP 0.00001704 0.52634 10.7595
255 3H4S ADP 0.00000041 0.51958 10.7595
256 2Y65 ADP 0.0000007663 0.51182 10.7595
257 1TQ4 GDP 0.000006703 0.48511 10.7595
258 2XAU ADP 0.0001388 0.47285 10.7595
259 4A4Z ANP 0.0007328 0.45698 10.7595
260 1NY5 ADP 0.0001716 0.44944 10.7595
261 1XTQ GDP 0.0001008 0.42461 10.7595
262 1NN5 ANP 0.00000516 0.42256 10.7595
263 2GJ8 ALF GDP 0.00008806 0.40826 10.7595
264 2XG5 EC5 0.01879 0.40145 10.7595
265 2XG5 EC2 0.01879 0.40145 10.7595
266 2V7Q ADP 0.000191 0.48441 10.9589
267 2V7Q ATP 0.00008663 0.48182 10.9589
268 2CK3 ANP 0.0004013 0.42601 10.9589
269 2CK3 ADP 0.0004003 0.40353 10.9589
270 2WHX ADP 0.000003242 0.59437 11.3924
271 4CVN ADP 0.000002839 0.58844 11.3924
272 4BQS ADP 0.000003815 0.56421 11.3924
273 1S9D GDP 0.000002606 0.56368 11.3924
274 2WIC GNP 0.000009452 0.53806 11.3924
275 4IEE AGS 0.0003267 0.47968 11.3924
276 1OFL NGK GCD 0.01338 0.41453 11.3924
277 3T5G GDP 0.00004354 0.51071 11.8421
278 5TB5 GDP 0.00003148 0.50129 12
279 1SKQ GDP 0.000006389 0.56205 12.0253
280 2NGR GDP 0.00003042 0.51482 12.0253
281 3P4X ADP 0.00002732 0.49756 12.0253
282 1RYH GNP 0.00003926 0.4972 12.0253
283 1ZD9 GDP 0.00001373 0.48137 12.0253
284 1B0U ATP 0.00007187 0.47302 12.0253
285 1GRN GDP 0.00007191 0.46362 12.0253
286 2D7D ADP 0.00174 0.43934 12.0253
287 1OIV GDP 0.00004989 0.42446 12.0253
288 1OIX GDP 0.00005023 0.42307 12.0253
289 5TAR GDP 0.00003519 0.48749 12.1622
290 3WXM GTP 0.00007453 0.51887 12.6582
291 4IHQ ADP 0.0001304 0.49891 12.6582
292 1B7T ADP 0.00003599 0.49816 12.6582
293 4D81 ADP 0.00003382 0.48752 12.6582
294 4PX9 ADP 0.0002383 0.48629 12.6582
295 1YTM ATP 0.00002291 0.46572 12.6582
296 2GK6 ADP 0.002991 0.43866 12.6582
297 2X7I CIT 0.007873 0.40849 12.6582
298 1G7C 5GP 0.001797 0.43867 12.766
299 1KK8 BEF ADP 0.000007088 0.50303 12.9496
300 1Z0K GTP 0.00003502 0.44049 13.0435
301 1X6V ADP 0.00001007 0.42393 13.2911
302 2PEZ DAT 0.000003115 0.41926 13.2911
303 2PEZ GGZ 0.000003115 0.41926 13.2911
304 2NCD ADP 0.000001277 0.61446 13.9241
305 3UIE ANP 0.00005567 0.48917 13.9241
306 5L3V GDP 0.00008776 0.48236 13.9241
307 4XTR ADP 0.0001013 0.45214 13.9241
308 4XVU ATP 0.0001145 0.42748 13.9241
309 4XTR ATP 0.0001311 0.42572 13.9241
310 5L3S G 0.01206 0.41268 13.9241
311 5L3S GNP 0.0002283 0.41041 13.9241
312 2WOJ ADP ALF 0.00009318 0.41029 13.9241
313 5FG3 GDP 0.000004246 0.57061 15.1899
314 2WJG GDP 0.000007106 0.55153 15.1899
315 1XKV ATP 0.00001234 0.51981 15.1899
316 2QEN ADP 0.00008499 0.45926 15.1899
317 1Z0J GTP 0.00003688 0.41889 15.2542
318 2RCN GDP 0.000003027 0.56893 15.8228
319 1FZQ GDP 0.000007669 0.54997 15.8228
320 1D2E GDP 0.00002068 0.49712 15.8228
321 3VX3 ADP 0.00002928 0.47027 15.8228
322 5MZN ADP 0.001421 0.45469 15.8228
323 2QTV GNP 0.000009592 0.44971 15.8228
324 3RC3 ANP 0.003369 0.4308 15.8228
325 5I34 GDP 0.004368 0.41601 15.8228
326 3EC1 GDP 0.0003308 0.46736 16.4557
327 2C04 GCP 0.0005058 0.4344 16.4557
328 1GXU 2HP 0.0006947 0.45181 16.4835
329 1YQT ADP 0.00001074 0.56691 17.0886
330 3Q72 GNP 0.00001234 0.54827 17.0886
331 4P4T GDP 0.00002279 0.47484 17.0886
332 5EE7 5MV 0.01862 0.40439 17.0886
333 1I4D GDP 0.00003318 0.52757 17.7215
334 4D0N GDP 0.00002521 0.50885 17.7215
335 2GCN GDP 0.00004347 0.44465 17.7215
336 1M2O GNP 0.00002149 0.43325 17.7215
337 1W5T ANP 0.0001661 0.43182 17.7215
338 1W5T ADP 0.0006362 0.42652 17.7215
339 1OW3 GDP 0.00005082 0.51313 18.3544
340 2QZ4 ADP 0.00006304 0.48776 18.3544
341 3KJI ADP 0.0002306 0.47995 18.3544
342 2GCO GNP 0.00002836 0.47992 18.3544
343 5HPY GDP 0.0000552 0.46861 18.3544
344 1KMQ GNP 0.00006152 0.4317 18.3544
345 1TX4 ALF GDP 0.0001276 0.4245 18.3544
346 1ZJ6 G3D 0.00000754 0.54255 18.9873
347 1KSH GDP 0.00003719 0.52454 18.9873
348 5IRC GDP 0.0001526 0.47117 18.9873
349 5KUT GDP 0.00001167 0.53387 19.6203
350 1XP8 AGS 0.00003961 0.52386 19.6203
351 4R43 GDP 0.0002886 0.47598 19.6203
352 5I0H ADP BEF 0.00001031 0.47387 19.6203
353 4B47 GDP 0.000004153 0.57107 20.2532
354 1KY3 GDP 0.00001595 0.50229 20.2532
355 2J0V GDP 0.00006511 0.49969 20.2532
356 2FSH ANP 0.0008325 0.46009 20.2532
357 1G6H ADP 0.0000002292 0.67344 20.8861
358 1JJV ATP 0.00001168 0.56316 20.8861
359 5TSH ADP 0.00004157 0.53588 20.8861
360 5TSH ANP 0.00002781 0.5237 20.8861
361 1F6B GDP 0.000002325 0.56595 21.519
362 1VG1 GDP 0.000007079 0.54381 21.519
363 1VG0 GDP 0.0000232 0.52625 21.519
364 1VG9 GDP 0.00001882 0.52437 21.519
365 4WZA ACP 0.0004331 0.51894 21.519
366 4WZA ADP 0.0004438 0.51838 21.519
367 4TTQ ATP 0.0000387 0.51696 21.519
368 1VG8 GNP 0.00002757 0.42308 21.519
369 2HCJ GDP 0.000004788 0.52833 21.6216
370 5UWT GNP 0.00001239 0.55855 22.1519
371 3GJ3 GDP 0.000005325 0.55741 22.1519
372 3GJ0 GDP 0.000005535 0.55662 22.1519
373 3GJ7 GDP 0.000005726 0.55593 22.1519
374 3GJ4 GDP 0.00000623 0.55421 22.1519
375 5BXQ GDP 0.000008387 0.54044 22.1519
376 3GJ5 GDP 0.000008883 0.5393 22.1519
377 3CH5 GDP 0.000009006 0.53902 22.1519
378 3GJ8 GDP 0.000009988 0.53696 22.1519
379 2HF9 GSP 0.00002938 0.4821 22.1519
380 4KBF AMP 0.002339 0.43845 22.1519
381 5UWH GNP 0.00001204 0.43159 22.1519
382 5UWI GNP 0.00001188 0.43157 22.1519
383 5UWR GNP 0.00001235 0.43136 22.1519
384 5UWJ GNP 0.00001247 0.4311 22.1519
385 5UWU GNP 0.00001319 0.43075 22.1519
386 5DIF GNP 0.0000137 0.43026 22.1519
387 5UWQ GNP 0.00001456 0.42976 22.1519
388 5DHF GNP 0.00001501 0.42934 22.1519
389 5UWW GNP 0.00001548 0.42913 22.1519
390 1IBR GNP 0.0000157 0.42905 22.1519
391 5UWO GNP 0.00001671 0.42835 22.1519
392 5DI9 GNP 0.00001446 0.42262 22.1519
393 4HAT GNP 0.00001547 0.42209 22.1519
394 5UWP GNP 0.00001613 0.42179 22.1519
395 5UWS GNP 0.00001846 0.42061 22.1519
396 1WA5 GTP 0.00001587 0.40369 22.1519
397 1NRJ GTP 0.00003314 0.46055 22.9358
398 1IN4 ADP 0.00007416 0.45279 23.4177
399 3M1I GTP 0.00000992 0.43333 23.4177
400 3ZS9 ADP ALF 0.0001217 0.40739 23.6842
401 3ZIA ATP 0.0001104 0.48919 24.5902
402 3ZIA ADP 0.0001089 0.46631 24.5902
403 1YZG GDP 0.000007466 0.54275 24.6835
404 5L3R GCP 0.0002405 0.41059 24.6835
405 1OFH ADP 0.0001004 0.47896 25.3165
406 4NCN GTP 0.00007449 0.42965 25.3165
407 2A9K GDP 0.00003677 0.5197 27.8481
408 1U8Z GDP 0.00007026 0.43136 27.8481
409 1ZC3 GNP 0.00008464 0.40773 27.8481
410 1PUJ GNP 0.0000234 0.49593 29.1139
411 1Z2A GDP 0.00001589 0.45277 30.3797
412 1OS1 ATP 0.0000187 0.42032 32.2785
413 1OS1 PYR 0.00002041 0.41364 32.2785
414 1A4R GNH 0.00002506 0.48256 32.9114
415 1A4R GDP 0.00002322 0.47333 32.9114
416 4HI0 GDP 0.000003148 0.49888 35.443
417 3TK1 GDP 0.0000173 0.54955 36.076
418 2ZR9 DTP 0.0001364 0.49128 40.5063
419 1TU3 GNP 0.0000527 0.42062 46.8354
Pocket No.: 2; Query (leader) PDB : 1HTW; Ligand: ADP; Similar sites found: 6
This union binding pocket(no: 2) in the query (biounit: 1htw.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2YIP YIO 0.01565 0.40523 None
2 2YOH WMJ 0.00002095 0.40437 5.06329
3 2ZJ5 ADP 0.01049 0.41221 6.96203
4 4DV8 0LX 0.02843 0.40849 6.96203
5 2O0J ADP 0.004523 0.408 7.59494
6 5CUQ NSC 0.02895 0.40593 17.7215
Pocket No.: 3; Query (leader) PDB : 1HTW; 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: 1htw.bio2) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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