Receptor
PDB id Resolution Class Description Source Keywords
3LOO 2 Å EC: 2.7.1.20 CRYSTAL STRUCTURE OF ANOPHELES GAMBIAE ADENOSINE KINASE IN C WITH P1,P4-DI(ADENOSINE-5) TETRAPHOSPHATE ANOPHELES GAMBIAE ANOPHELES GAMBIAE ADENOSINE KINASE AP4A P1 P4-DI(ADENOSITETRAPHOSPHATE TRANSFERASE
Ref.: A HIGH-AFFINITY ADENOSINE KINASE FROM ANOPHELES GAM BIOCHEMISTRY V. 50 1885 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
B4P C:349;
A:349;
B:349;
Valid;
Valid;
Valid;
none;
none;
none;
Ki = 860 nM
836.387 C20 H28 N10 O19 P4 c1nc(...
MG A:350;
B:350;
C:350;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
CL A:351;
B:351;
C:351;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
35.453 Cl [Cl-]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3LOO 2 Å EC: 2.7.1.20 CRYSTAL STRUCTURE OF ANOPHELES GAMBIAE ADENOSINE KINASE IN C WITH P1,P4-DI(ADENOSINE-5) TETRAPHOSPHATE ANOPHELES GAMBIAE ANOPHELES GAMBIAE ADENOSINE KINASE AP4A P1 P4-DI(ADENOSITETRAPHOSPHATE TRANSFERASE
Ref.: A HIGH-AFFINITY ADENOSINE KINASE FROM ANOPHELES GAM BIOCHEMISTRY V. 50 1885 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 3LOO Ki = 860 nM B4P C20 H28 N10 O19 P4 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 6 families.
1 3LOO Ki = 860 nM B4P C20 H28 N10 O19 P4 c1nc(c2c(n....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2AB8 - MTP C11 H14 N4 O4 S CSc1c2c(nc....
2 1BX4 - ADN C10 H13 N5 O4 c1nc(c2c(n....
3 2I6B ic50 = 68 nM 89I C23 H24 N6 O CN(C)c1ccc....
4 4O1L ic50 = 0.2 uM HO4 C13 H14 N4 O4 C#Cc1cn(c2....
5 2I6A ic50 = 0.9 nM 5I5 C11 H13 I N4 O3 C[C@@H]1[C....
6 3LOO Ki = 860 nM B4P C20 H28 N10 O19 P4 c1nc(c2c(n....
7 3OTX ic50 = 29.4 uM AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: B4P; Similar ligands found: 405
No: Ligand ECFP6 Tc MDL keys Tc
1 AP5 1 1
2 B4P 1 1
3 BA3 0.984615 1
4 5FA 0.942029 0.971831
5 AQP 0.942029 0.971831
6 ATP 0.927536 0.971831
7 A2D 0.924242 1
8 ADP 0.884058 0.971831
9 AGS 0.875 0.92
10 SAP 0.875 0.92
11 AN2 0.84507 0.958333
12 APR 0.835616 0.971831
13 AR6 0.835616 0.971831
14 M33 0.833333 0.958333
15 AD9 0.824324 0.945205
16 ACP 0.821918 0.945205
17 ANP 0.802632 0.945205
18 ACQ 0.802632 0.945205
19 AMP 0.797101 0.943662
20 A 0.797101 0.943662
21 ADX 0.783784 0.873418
22 CA0 0.783784 0.945205
23 50T 0.773333 0.931507
24 ABM 0.763889 0.917808
25 PRX 0.763158 0.893333
26 ATF 0.759494 0.932432
27 TAT 0.75641 0.932432
28 A22 0.753086 0.985915
29 25L 0.752941 0.985915
30 AMP MG 0.75 0.891892
31 AP2 0.743243 0.932432
32 A12 0.743243 0.932432
33 APC 0.74026 0.932432
34 SRA 0.736111 0.893333
35 ADQ 0.73494 0.972222
36 A1R 0.73494 0.907895
37 5AL 0.725 0.931507
38 G5P 0.722222 0.921053
39 OAD 0.717647 0.945205
40 ADP MG 0.714286 0.905405
41 AU1 0.714286 0.945205
42 G3A 0.711111 0.921053
43 SRP 0.707317 0.906667
44 BEF ADP 0.705128 0.881579
45 ADP BEF 0.705128 0.881579
46 8QN 0.702381 0.931507
47 3OD 0.701149 0.945205
48 GTA 0.695652 0.886076
49 4AD 0.694118 0.92
50 UP5 0.691489 0.945946
51 ADP PO3 0.6875 0.943662
52 RBY 0.6875 0.932432
53 ADV 0.6875 0.932432
54 00A 0.686047 0.907895
55 5SV 0.682353 0.848101
56 OOB 0.682353 0.958333
57 25A 0.682353 0.971831
58 BIS 0.681818 0.907895
59 ATP MG 0.679012 0.905405
60 AMO 0.674419 0.932432
61 PAJ 0.674419 0.884615
62 ITT 0.670886 0.916667
63 7D4 0.670886 0.88
64 MAP 0.670588 0.92
65 A4P 0.670103 0.843373
66 DLL 0.666667 0.958333
67 AHX 0.666667 0.896104
68 3UK 0.659091 0.945205
69 SON 0.658228 0.906667
70 T5A 0.656566 0.864198
71 ALF ADP 0.654762 0.87013
72 ADP ALF 0.654762 0.87013
73 WAQ 0.651685 0.883117
74 PR8 0.651685 0.85
75 LAD 0.651685 0.860759
76 GAP 0.650602 0.893333
77 AFH 0.648936 0.909091
78 VO4 ADP 0.647059 0.931507
79 ANP MG 0.647059 0.894737
80 ADP VO4 0.647059 0.931507
81 NB8 0.644444 0.896104
82 1ZZ 0.644444 0.839506
83 FYA 0.644444 0.931507
84 PTJ 0.644444 0.871795
85 ME8 0.644444 0.839506
86 TXA 0.644444 0.932432
87 2A5 0.634146 0.893333
88 9SN 0.630435 0.896104
89 48N 0.628866 0.896104
90 ATR 0.626506 0.943662
91 PAP 0.626506 0.957747
92 FA5 0.623656 0.932432
93 YAP 0.623656 0.92
94 RAB 0.623188 0.84507
95 XYA 0.623188 0.84507
96 ADN 0.623188 0.84507
97 TXD 0.622449 0.933333
98 NAX 0.622449 0.897436
99 DND 0.622449 0.958904
100 6V0 0.622449 0.921053
101 NXX 0.622449 0.958904
102 NAI 0.622449 0.933333
103 7D3 0.620253 0.88
104 XAH 0.617021 0.839506
105 OMR 0.616162 0.851852
106 TXE 0.616162 0.933333
107 AOC 0.615385 0.821918
108 DAL AMP 0.613636 0.905405
109 4UV 0.610526 0.92
110 AP0 0.61 0.921053
111 5N5 0.605634 0.819444
112 5AS 0.604938 0.77907
113 ADP BMA 0.604396 0.945205
114 A2R 0.602273 0.958333
115 CNA 0.601942 0.958904
116 4UU 0.597938 0.92
117 A4D 0.597222 0.819444
118 5CD 0.597222 0.805556
119 4TC 0.594059 0.921053
120 3AT 0.593023 0.944444
121 139 0.592233 0.897436
122 ADJ 0.592233 0.875
123 LAQ 0.585859 0.839506
124 A A 0.580645 0.944444
125 YLP 0.58 0.819277
126 COD 0.575472 0.811765
127 DTP 0.574713 0.88
128 JB6 0.574468 0.907895
129 4UW 0.574257 0.884615
130 EP4 0.573333 0.753247
131 A3P 0.573171 0.943662
132 ATP A A A 0.572917 0.957747
133 7D5 0.571429 0.853333
134 TYM 0.568627 0.932432
135 MYR AMP 0.568421 0.817073
136 6AD 0.568182 0.884615
137 M2T 0.565789 0.734177
138 DTA 0.565789 0.810811
139 3DH 0.564103 0.773333
140 G5A 0.563218 0.77907
141 UPA 0.563107 0.933333
142 YLB 0.563107 0.819277
143 YLC 0.563107 0.839506
144 NAD 0.560748 0.958333
145 TSB 0.56044 0.819277
146 MTA 0.558442 0.773333
147 3AM 0.556962 0.902778
148 SSA 0.555556 0.8
149 AHZ 0.554455 0.817073
150 A2P 0.554217 0.929577
151 NA7 0.553191 0.932432
152 IOT 0.552381 0.809524
153 TYR AMP 0.55102 0.906667
154 PPS 0.550562 0.85
155 A3D 0.550459 0.945205
156 7MD 0.55 0.8625
157 AR6 AR6 0.55 0.944444
158 VMS 0.549451 0.788235
159 54H 0.549451 0.788235
160 YLA 0.54717 0.819277
161 AMP DBH 0.545455 0.918919
162 TAD 0.544554 0.884615
163 A5A 0.544444 0.807229
164 AV2 0.544444 0.891892
165 6RE 0.54321 0.7375
166 AYB 0.542056 0.809524
167 7DT 0.54023 0.957747
168 DDS 0.539326 0.853333
169 AVV 0.537634 0.896104
170 52H 0.532609 0.77907
171 BTX 0.53211 0.819277
172 NSS 0.531915 0.8
173 NAE 0.530973 0.92
174 ZAS 0.530864 0.766234
175 A3N 0.53012 0.786667
176 J7C 0.53012 0.746835
177 IMO 0.53012 0.902778
178 DAT 0.528736 0.88
179 BT5 0.527273 0.809524
180 5CA 0.526882 0.8
181 53H 0.526882 0.77907
182 NAQ 0.526316 0.896104
183 ARU 0.526316 0.8375
184 EAD 0.525862 0.897436
185 RGT 0.525253 0.932432
186 2AM 0.525 0.916667
187 ARG AMP 0.524272 0.807229
188 LA8 ALF 3PG 0.52381 0.8375
189 AF3 ADP 3PG 0.52381 0.8375
190 ALF ADP 3PG 0.52381 0.8375
191 S4M 0.52381 0.666667
192 V3L 0.522222 0.944444
193 ZID 0.521739 0.945205
194 LPA AMP 0.519231 0.817073
195 7MC 0.518868 0.841463
196 DSH 0.518072 0.725
197 MAO 0.517647 0.759036
198 DSZ 0.515789 0.8
199 LSS 0.515789 0.761364
200 P5A 0.515464 0.744444
201 DZD 0.513514 0.909091
202 FB0 0.512397 0.784091
203 5X8 0.511364 0.763158
204 GP3 0.511111 0.921053
205 NVA LMS 0.510417 0.761364
206 YLY 0.508772 0.809524
207 M24 0.508772 0.873418
208 N0B 0.508621 0.841463
209 P1H 0.508333 0.875
210 5AD 0.506849 0.746479
211 OVE 0.506024 0.88
212 GJV 0.505882 0.728395
213 7DD 0.505747 0.957747
214 LEU LMS 0.505155 0.761364
215 NAJ PZO 0.504425 0.871795
216 GSU 0.5 0.77907
217 KAA 0.5 0.752809
218 128 0.5 0.776471
219 NEC 0.5 0.746667
220 NDE 0.495868 0.932432
221 NJP 0.495495 0.945946
222 NAD IBO 0.495495 0.894737
223 6C6 0.494505 0.857143
224 SFG 0.494382 0.75
225 FDA 0.491935 0.833333
226 0WD 0.491071 0.921053
227 4TA 0.491071 0.829268
228 YSA 0.490196 0.8
229 GTP 0.489362 0.894737
230 A7D 0.488636 0.776316
231 6FA 0.488 0.864198
232 NDC 0.487805 0.896104
233 A5D 0.483516 0.810811
234 SA8 0.483516 0.707317
235 MHZ 0.483146 0.697674
236 71V 0.482759 0.883117
237 A3G 0.482353 0.8
238 ODP 0.482143 0.909091
239 Y3J 0.480519 0.726027
240 SFD 0.480315 0.752688
241 FAS 0.480315 0.875
242 FAD 0.480315 0.875
243 7D7 0.48 0.743243
244 GGZ 0.479167 0.825
245 SAI 0.478261 0.734177
246 SAH 0.478261 0.74359
247 G A A A 0.477876 0.871795
248 NDP 0.477477 0.921053
249 NPW 0.477477 0.886076
250 PO4 PO4 A A A A PO4 0.474747 0.929577
251 NAJ PYZ 0.474576 0.873418
252 SMM 0.473684 0.686047
253 TXP 0.473214 0.921053
254 NZQ 0.473214 0.909091
255 6IA 0.473118 0.814815
256 SAM 0.473118 0.690476
257 AAT 0.468085 0.707317
258 EEM 0.468085 0.690476
259 7C5 0.466667 0.818182
260 PGS 0.466667 0.858974
261 FNK 0.465649 0.804598
262 62F 0.465649 0.886076
263 D5M 0.465116 0.853333
264 DA 0.465116 0.853333
265 N6P 0.464646 0.915493
266 GSP 0.463918 0.85
267 2SA 0.463158 0.906667
268 FAY 0.462121 0.886076
269 A3T 0.461538 0.821918
270 U A G G 0.46087 0.883117
271 A A A 0.46 0.905405
272 AAM 0.45977 0.943662
273 GEK 0.459184 0.7375
274 RFL 0.458647 0.843373
275 6G0 0.458333 0.860759
276 S7M 0.458333 0.690476
277 AMP NAD 0.458333 0.906667
278 4YB 0.457944 0.781609
279 AMZ 0.457831 0.890411
280 C2R 0.457831 0.878378
281 GDP 0.457447 0.894737
282 A3S 0.455556 0.810811
283 WSA 0.454545 0.809524
284 Z5A 0.454545 0.8
285 12D 0.453704 0.785714
286 XNP 0.452174 0.873418
287 AIR 0.45 0.875
288 62X 0.45 0.666667
289 ETB 0.449153 0.811765
290 DCA 0.449153 0.802326
291 MGP 0.447917 0.860759
292 NIA 0.447059 0.8
293 K15 0.445545 0.682353
294 A6D 0.445545 0.743902
295 PUA 0.445378 0.884615
296 6K6 0.444444 0.90411
297 V1N 0.443396 0.944444
298 0T1 0.441667 0.802326
299 COA 0.441667 0.802326
300 649 0.441441 0.764045
301 0UM 0.44 0.698795
302 P5F 0.438849 0.823529
303 G1R 0.438776 0.883117
304 GCP 0.438776 0.871795
305 GNH 0.4375 0.883117
306 3AD 0.4375 0.805556
307 101 0.436782 0.853333
308 NAP 0.434426 0.945205
309 GNP 0.434343 0.871795
310 APU 0.433628 0.894737
311 A U 0.433628 0.894737
312 KB1 0.432692 0.719512
313 F2N 0.432624 0.813953
314 7RP 0.431818 0.901408
315 DG1 0.430894 0.921053
316 TAP 0.430894 0.907895
317 AMX 0.430894 0.811765
318 30N 0.430894 0.734043
319 COS 0.430894 0.784091
320 1DG 0.430894 0.921053
321 CAO 0.430894 0.775281
322 2VA 0.430108 0.8
323 S8M 0.43 0.759494
324 GTG 0.429907 0.886076
325 FA9 0.429577 0.864198
326 MGO 0.428571 0.8375
327 SCO 0.427419 0.802326
328 CMX 0.427419 0.802326
329 NA0 0.427419 0.932432
330 NHD 0.42735 0.931507
331 AS 0.426966 0.810127
332 7RA 0.426966 0.930556
333 ACK 0.425287 0.861111
334 QQY 0.425287 0.815789
335 FAM 0.424 0.784091
336 FCX 0.424 0.775281
337 ACO 0.424 0.775281
338 CC5 0.423077 0.816901
339 SXZ 0.423077 0.710843
340 8BR 0.422222 0.881579
341 ZDA 0.421053 0.84
342 IDP 0.421053 0.893333
343 HAX 0.420635 0.784091
344 GDD 0.420561 0.884615
345 GKE 0.420561 0.884615
346 GDC 0.420561 0.884615
347 PLP AAD 0.420168 0.761364
348 J7V 0.419355 0.833333
349 TM1 0.419048 0.77381
350 2MC 0.418605 0.75
351 NAD BBN 0.41791 0.864198
352 CMP 0.417582 0.928571
353 2BA 0.417582 0.942857
354 FYN 0.417323 0.802326
355 3KK 0.417323 0.784091
356 SO8 0.416667 0.789474
357 SLU 0.416667 0.790698
358 NMN AMP PO4 0.415254 0.894737
359 26A 0.414634 0.763158
360 SOP 0.414062 0.784091
361 COK 0.414062 0.784091
362 MCD 0.414062 0.784091
363 OXK 0.414062 0.784091
364 CA6 0.414062 0.71134
365 QQX 0.413793 0.805195
366 G2R 0.413462 0.860759
367 NAD CJ3 0.411765 0.833333
368 FAI 0.411111 0.890411
369 RMB 0.411111 0.847222
370 1VU 0.410853 0.775281
371 CMC 0.410853 0.784091
372 CO6 0.410853 0.784091
373 NMX 0.410853 0.741935
374 ANZ 0.409091 0.8
375 SCA 0.409091 0.784091
376 RP1 0.409091 0.866667
377 SP1 0.409091 0.866667
378 1RB 0.409091 0.859155
379 NFD 0.408333 0.907895
380 SCD 0.407692 0.802326
381 CAJ 0.407692 0.784091
382 NVA 2AD 0.40625 0.74359
383 U G A 0.406015 0.839506
384 D3Y 0.405941 0.813333
385 KH3 0.405405 0.674419
386 N01 0.404959 0.931507
387 A1S 0.40458 0.784091
388 MLC 0.40458 0.784091
389 3HC 0.40458 0.793103
390 IVC 0.40458 0.793103
391 BCO 0.40458 0.784091
392 1HE 0.40458 0.766667
393 5GP 0.404255 0.881579
394 G 0.404255 0.881579
395 G2Q 0.403846 0.860759
396 3L1 0.402439 0.773333
397 3D1 0.402439 0.773333
398 VRT 0.402062 0.769231
399 COO 0.401515 0.784091
400 YE1 0.401515 0.813953
401 MCA 0.401515 0.775281
402 CAA 0.401515 0.793103
403 GMV 0.4 0.871795
404 3NZ 0.4 0.805195
405 CNV FAD 0.4 0.793103
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3LOO; Ligand: B4P; Similar sites found: 81
This union binding pocket(no: 1) in the query (biounit: 3loo.bio2) has 36 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3BP1 GUN 0.001652 0.4903 1.37931
2 1U1J MET 0.02938 0.41609 1.64384
3 1O9U ADZ 0.03274 0.42069 1.71429
4 4AQ4 G3P 0.01873 0.42725 1.91781
5 4UCC ZKW 0.03229 0.41511 1.91781
6 2OG2 MLI 0.0324 0.41431 2.22841
7 2EB5 OXL 0.03745 0.40939 2.24719
8 5DX3 EST 0.01552 0.41928 2.29885
9 5DXG EST 0.01825 0.41572 2.29885
10 4MGD 27N 0.0184 0.41197 2.35294
11 4TV1 36M 0.02378 0.4216 2.39044
12 3UUA 0CZ 0.01949 0.41803 2.39044
13 1D8C SOR 0.01834 0.42314 2.46575
14 3B6C SDN 0.03162 0.41485 2.5641
15 5HCV 60R 0.009097 0.41332 2.72374
16 4N6H EJ4 0.03153 0.41492 2.73973
17 3LRE ADP 0.04085 0.41216 2.8169
18 3U6B GDP 0.03897 0.406 3.0137
19 3RGA LSB 0.0142 0.41402 3.18021
20 4RW3 PLM 0.01179 0.43722 3.31126
21 4RW3 IPD 0.04582 0.40222 3.31126
22 4J26 EST 0.0138 0.42185 3.33333
23 2DTJ THR 0.03694 0.40359 3.37079
24 1M2Z DEX 0.01421 0.40453 3.50195
25 1Q19 SSC 0.001401 0.48801 3.56164
26 2CBZ ATP 0.02407 0.42657 3.79747
27 4R78 AMP 0.01133 0.4345 3.8835
28 5UGW GSH 0.005017 0.4451 4
29 3GD8 GOL 0.04445 0.40919 4.03587
30 1BRW URA 0.0349 0.41334 4.10959
31 3BMN AX3 0.02079 0.42309 4.16667
32 3RZ3 U94 0.008411 0.43268 4.37158
33 4AMF ACP 0.0407 0.40934 4.42177
34 1GOJ ADP 0.0443 0.40612 4.50704
35 4C5N PXL 0.00002228 0.47942 4.71014
36 4C5N ACP 0.00002951 0.47842 4.71014
37 4J0Q GDP 0.02425 0.417 4.93151
38 3GQT UFO 0.02219 0.41142 5.01253
39 4DZ1 DAL 0.03567 0.4131 5.01931
40 2JG1 ANP 0.0000001264 0.48571 5.15152
41 2JGV ADP 0.000006792 0.4102 5.15152
42 3UPY FOM 0.03168 0.41122 5.20548
43 5L8L ADP 0.04195 0.40071 5.26316
44 3ZS7 ATP 0.0008722 0.45167 5.33333
45 5L3S G 0.03004 0.42312 5.36913
46 2Q8H TF4 0.01936 0.4307 5.75342
47 3KP6 SAL 0.01121 0.45087 5.96026
48 2J5V PCA 0.0162 0.44081 6.26703
49 4KBA 1QM 0.04216 0.40417 6.34441
50 4XF6 LIP 0.00000002884 0.58033 6.59341
51 4XF6 INS 0.00000002884 0.58033 6.59341
52 4XF6 ADP 0.0000000461 0.56136 6.59341
53 4D2S DYK 0.03484 0.40146 6.69014
54 3GN8 DEX 0.01278 0.40662 7.12329
55 3W9K MYR 0.01228 0.42064 7.19424
56 1GC5 ADP 0.0003933 0.49941 7.67123
57 1GQY ACP 0.02599 0.40132 8.63158
58 1XZ3 ICF 0.004084 0.46476 9.1954
59 1XPJ TLA 0.0008893 0.48882 9.52381
60 2QQC AG2 0.0462 0.4058 9.82143
61 5D1R 56S 0.01909 0.41473 10.4603
62 2QN6 GDP 0.04654 0.40186 10.7527
63 4JLS 3ZE 0.0383 0.41077 11.1842
64 2VAR ANP 0.000000008245 0.51391 11.8211
65 2VAR AMP 0.00000009695 0.43349 11.8211
66 2WJG GDP 0.02749 0.41028 12.234
67 3RF4 FUN 0.03365 0.41337 12.931
68 3B1Q NOS 0.000002521 0.42612 16.5644
69 5C5T AKG 0.03317 0.40974 17.1053
70 3CQD ATP 0.0000003051 0.52675 18.123
71 2HW1 FRU 0.0000001704 0.7059 18.4564
72 2HW1 ANP 0.0000000288 0.65376 18.4564
73 3RV5 DXC 0.02758 0.40243 19.1011
74 2C49 ANP 0.00000001815 0.50632 20.8609
75 2C49 ADN 0.000003827 0.41684 20.8609
76 1RKD RIB 0.00000000001639 0.71159 30.7443
77 4XDA ADP 0.000000000005531 0.72917 32.6861
78 4XDA RIB 0.000000000005531 0.72917 32.6861
79 1V1A ADP 0.000001174 0.60259 39.4822
80 1V1A KDG 0.00005687 0.5554 39.4822
81 3NC9 TR3 0.0000000017 0.62542 41.853
Pocket No.: 2; Query (leader) PDB : 3LOO; Ligand: B4P; Similar sites found: 36
This union binding pocket(no: 2) in the query (biounit: 3loo.bio1) has 36 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4QCK ASD 0.0257 0.40478 1.36986
2 2GUE NAG 0.01876 0.43145 2.45902
3 5AWM ANP 0.02029 0.41713 2.46575
4 4ZV1 ARG 0.01414 0.42942 2.57511
5 3KRL KRL 0.01069 0.40716 2.68657
6 2W58 ADP 0.01608 0.4376 2.9703
7 4LH7 1X8 0.0161 0.434 3.09598
8 4K37 SAM 0.01189 0.41775 3.28767
9 4Z7X 3CX 0.0264 0.42232 3.36134
10 4ZGP ADP 0.01635 0.41107 3.41297
11 4ZVF GAV 0.01373 0.42196 3.48837
12 4EN4 GT0 0.0007295 0.41225 3.52564
13 4EN4 GT1 0.0007295 0.41225 3.52564
14 4EN4 ATP 0.0007295 0.41225 3.52564
15 5MJA 7O3 0.03073 0.40092 3.60656
16 2V57 PRL 0.02943 0.42019 4.10959
17 2NCD ADP 0.01719 0.43142 4.38356
18 2IF8 ADP 0.04125 0.40851 4.40771
19 5DZT AMP 0.03326 0.41562 4.65753
20 1UPR 4IP 0.006339 0.44692 4.87805
21 1JJ7 ADP 0.04022 0.41259 5
22 1OPK MYR 0.0177 0.40618 5.20548
23 1YQC GLV 0.03879 0.40595 5.88235
24 2PUL ACP 0.02677 0.40069 6.30137
25 2F2U M77 0.0305 0.40793 6.57534
26 5E4R 40E 0.03702 0.40594 6.57534
27 3LE7 ADE 0.04539 0.40207 6.89655
28 4LBP 1WG 0.04365 0.40336 7
29 1W2D ADP 0.038 0.40295 7.12329
30 1ZN7 HSX 0.033 0.40615 7.22222
31 4Y8D 49J 0.02658 0.41897 7.35294
32 1MZV AMP 0.03812 0.40288 8.51064
33 1L0I PSR 0.03973 0.41235 8.97436
34 5T8O 76Z 0.01596 0.40224 9.45559
35 3WBZ ATP 0.03254 0.40297 9.9631
36 4CPB GAL CN8 0.009352 0.44411 25.6198
Pocket No.: 3; Query (leader) PDB : 3LOO; Ligand: B4P; Similar sites found: 14
This union binding pocket(no: 3) in the query (biounit: 3loo.bio3) has 35 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1YQT ADP 0.0191 0.42765 3.0137
2 3TUR DGL 0.04326 0.40661 3.13589
3 4WNP 3RJ 0.02511 0.401 3.13589
4 1G6H ADP 0.03562 0.41686 3.50195
5 2Z9I GLY ALA THR VAL 0.04858 0.40016 4.65753
6 5TVF PUT 0.03665 0.40091 4.70588
7 5F90 LMR 0.0495 0.40606 6.41026
8 3VPH FBP 0.02442 0.42311 6.45161
9 2GK6 ADP 0.04117 0.40756 7.12329
10 3B5J 12D 0.04693 0.40443 7.40741
11 1JT2 FER 0.02684 0.40884 9.32836
12 4BKS X6C 0.03322 0.41316 9.87654
13 4AU8 Z3R 0.02878 0.40822 15.2027
14 3IWD M2T 0.03377 0.4141 17.7419
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