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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 (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2AA0 - MTP C11 H14 N4 O4 S CSc1c2c(nc....
2 2ABS - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
3 1DGM - ADN C10 H13 N5 O4 c1nc(c2c(n....
4 1LIJ - RPP C10 H14 I N5 O4 c1nc(c2c(n....
5 1LII - ADN C10 H13 N5 O4 c1nc(c2c(n....
6 2AB8 - MTP C11 H14 N4 O4 S CSc1c2c(nc....
7 1BX4 - ADN C10 H13 N5 O4 c1nc(c2c(n....
8 2I6B ic50 = 68 nM 89I C23 H24 N6 O CN(C)c1ccc....
9 4O1L ic50 = 0.2 uM HO4 C13 H14 N4 O4 C#Cc1cn(c2....
10 2I6A ic50 = 0.9 nM 5I5 C11 H13 I N4 O3 C[C@@H]1[C....
11 3LOO Ki = 860 nM B4P C20 H28 N10 O19 P4 c1nc(c2c(n....
12 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: 424
No: Ligand ECFP6 Tc MDL keys Tc
1 AP5 1 1
2 B4P 1 1
3 BA3 0.984615 1
4 AQP 0.942029 0.971831
5 5FA 0.942029 0.971831
6 ATP 0.927536 0.971831
7 HEJ 0.927536 0.971831
8 A2D 0.924242 1
9 ADP 0.884058 0.971831
10 SAP 0.875 0.92
11 AGS 0.875 0.92
12 AT4 0.84507 0.932432
13 AN2 0.84507 0.958333
14 APR 0.835616 0.971831
15 AR6 0.835616 0.971831
16 M33 0.833333 0.958333
17 AD9 0.824324 0.945205
18 ACP 0.821918 0.945205
19 ANP 0.802632 0.945205
20 ACQ 0.802632 0.945205
21 AMP 0.797101 0.943662
22 A 0.797101 0.943662
23 6YZ 0.794872 0.945205
24 ADX 0.783784 0.873418
25 CA0 0.783784 0.945205
26 50T 0.773333 0.931507
27 ABM 0.763889 0.917808
28 PRX 0.763158 0.893333
29 ATF 0.759494 0.932432
30 T99 0.75641 0.932432
31 TAT 0.75641 0.932432
32 A22 0.753086 0.985915
33 25L 0.752941 0.985915
34 AP2 0.743243 0.932432
35 A12 0.743243 0.932432
36 APC 0.74026 0.932432
37 SRA 0.736111 0.893333
38 A1R 0.73494 0.907895
39 ADQ 0.73494 0.972222
40 A3R 0.73494 0.907895
41 5AL 0.725 0.931507
42 G5P 0.722222 0.921053
43 9X8 0.717647 0.92
44 OAD 0.717647 0.945205
45 AU1 0.714286 0.945205
46 G3A 0.711111 0.921053
47 SRP 0.707317 0.906667
48 8QN 0.702381 0.931507
49 3OD 0.701149 0.945205
50 GTA 0.695652 0.886076
51 4AD 0.694118 0.92
52 UP5 0.691489 0.945946
53 ADV 0.6875 0.932432
54 ADP PO3 0.6875 0.943662
55 RBY 0.6875 0.932432
56 00A 0.686047 0.907895
57 5SV 0.682353 0.848101
58 OOB 0.682353 0.958333
59 25A 0.682353 0.971831
60 BIS 0.681818 0.907895
61 AMO 0.674419 0.932432
62 PAJ 0.674419 0.884615
63 7D4 0.670886 0.88
64 ITT 0.670886 0.916667
65 MAP 0.670588 0.92
66 A4P 0.670103 0.843373
67 DLL 0.666667 0.958333
68 AHX 0.666667 0.896104
69 3UK 0.659091 0.945205
70 SON 0.658228 0.906667
71 T5A 0.656566 0.864198
72 ADP ALF 0.654762 0.87013
73 ALF ADP 0.654762 0.87013
74 LMS 0.653333 0.82716
75 B5V 0.651685 0.932432
76 LAD 0.651685 0.860759
77 PR8 0.651685 0.85
78 WAQ 0.651685 0.883117
79 GAP 0.650602 0.893333
80 AFH 0.648936 0.909091
81 ADP VO4 0.647059 0.931507
82 VO4 ADP 0.647059 0.931507
83 TXA 0.644444 0.932432
84 NB8 0.644444 0.896104
85 PTJ 0.644444 0.871795
86 FYA 0.644444 0.931507
87 1ZZ 0.644444 0.839506
88 ME8 0.644444 0.839506
89 DQV 0.642105 0.985915
90 HFD 0.638554 0.92
91 2A5 0.634146 0.893333
92 DAL AMP 0.632184 0.905405
93 9SN 0.630435 0.896104
94 48N 0.628866 0.896104
95 PAP 0.626506 0.957747
96 ATR 0.626506 0.943662
97 9ZD 0.625 0.883117
98 9ZA 0.625 0.883117
99 YAP 0.623656 0.92
100 B5Y 0.623656 0.92
101 FA5 0.623656 0.932432
102 B5M 0.623656 0.92
103 RAB 0.623188 0.84507
104 ADN 0.623188 0.84507
105 XYA 0.623188 0.84507
106 NXX 0.622449 0.958904
107 NAX 0.622449 0.897436
108 6V0 0.622449 0.921053
109 TXD 0.622449 0.933333
110 NAI 0.622449 0.933333
111 DND 0.622449 0.958904
112 7D3 0.620253 0.88
113 XAH 0.617021 0.839506
114 OMR 0.616162 0.851852
115 TXE 0.616162 0.933333
116 AOC 0.615385 0.821918
117 4UV 0.610526 0.92
118 AP0 0.61 0.921053
119 5N5 0.605634 0.819444
120 5AS 0.604938 0.77907
121 ADP BMA 0.604396 0.945205
122 A2R 0.602273 0.958333
123 CNA 0.601942 0.958904
124 4UU 0.597938 0.92
125 GA7 0.597938 0.932432
126 A4D 0.597222 0.819444
127 5CD 0.597222 0.805556
128 4TC 0.594059 0.921053
129 3AT 0.593023 0.944444
130 139 0.592233 0.897436
131 ADJ 0.592233 0.875
132 LAQ 0.585859 0.839506
133 F2R 0.580952 0.841463
134 A A 0.580645 0.944444
135 YLP 0.58 0.819277
136 COD 0.575472 0.811765
137 DTP 0.574713 0.88
138 JB6 0.574468 0.907895
139 4UW 0.574257 0.884615
140 EP4 0.573333 0.753247
141 A3P 0.573171 0.943662
142 ATP A A A 0.572917 0.957747
143 7D5 0.571429 0.853333
144 TYM 0.568627 0.932432
145 MYR AMP 0.568421 0.817073
146 6AD 0.568182 0.884615
147 DTA 0.565789 0.810811
148 M2T 0.565789 0.734177
149 80F 0.564815 0.864198
150 3DH 0.564103 0.773333
151 G5A 0.563218 0.77907
152 UPA 0.563107 0.933333
153 YLC 0.563107 0.839506
154 YLB 0.563107 0.819277
155 TYR AMP 0.561224 0.894737
156 NAD 0.560748 0.958333
157 TSB 0.56044 0.819277
158 MTA 0.558442 0.773333
159 3AM 0.556962 0.902778
160 SSA 0.555556 0.8
161 AHZ 0.554455 0.817073
162 A2P 0.554217 0.929577
163 NA7 0.553191 0.932432
164 IOT 0.552381 0.809524
165 PPS 0.550562 0.85
166 A3D 0.550459 0.945205
167 7MD 0.55 0.8625
168 AR6 AR6 0.55 0.944444
169 ARG AMP 0.55 0.807229
170 54H 0.549451 0.788235
171 VMS 0.549451 0.788235
172 YLA 0.54717 0.819277
173 AMP DBH 0.545455 0.918919
174 TAD 0.544554 0.884615
175 AV2 0.544444 0.891892
176 A5A 0.544444 0.807229
177 6RE 0.54321 0.7375
178 AYB 0.542056 0.809524
179 7DT 0.54023 0.957747
180 DDS 0.539326 0.853333
181 AVV 0.537634 0.896104
182 52H 0.532609 0.77907
183 BTX 0.53211 0.819277
184 NSS 0.531915 0.8
185 NAE 0.530973 0.92
186 ZAS 0.530864 0.766234
187 J7C 0.53012 0.746835
188 A3N 0.53012 0.786667
189 IMO 0.53012 0.902778
190 DAT 0.528736 0.88
191 BT5 0.527273 0.809524
192 8X1 0.526882 0.752809
193 5CA 0.526882 0.8
194 53H 0.526882 0.77907
195 NVA LMS 0.526316 0.752809
196 ARU 0.526316 0.8375
197 NAQ 0.526316 0.896104
198 EAD 0.525862 0.897436
199 9K8 0.525773 0.733333
200 RGT 0.525253 0.932432
201 2AM 0.525 0.916667
202 S4M 0.52381 0.666667
203 AF3 ADP 3PG 0.52381 0.8375
204 V3L 0.522222 0.944444
205 ZID 0.521739 0.945205
206 LEU LMS 0.520833 0.752809
207 LPA AMP 0.519231 0.817073
208 7MC 0.518868 0.841463
209 DSH 0.518072 0.725
210 MAO 0.517647 0.759036
211 DSZ 0.515789 0.8
212 LSS 0.515789 0.761364
213 P5A 0.515464 0.744444
214 DZD 0.513514 0.909091
215 FB0 0.512397 0.784091
216 5X8 0.511364 0.763158
217 GP3 0.511111 0.921053
218 M24 0.508772 0.873418
219 YLY 0.508772 0.809524
220 N0B 0.508621 0.841463
221 P1H 0.508333 0.875
222 5AD 0.506849 0.746479
223 OVE 0.506024 0.88
224 GJV 0.505882 0.728395
225 7DD 0.505747 0.957747
226 NAJ PZO 0.504425 0.871795
227 GSU 0.5 0.77907
228 KAA 0.5 0.752809
229 128 0.5 0.776471
230 NEC 0.5 0.746667
231 NDE 0.495868 0.932432
232 NJP 0.495495 0.945946
233 6C6 0.494505 0.857143
234 SFG 0.494382 0.75
235 FDA 0.491935 0.833333
236 4TA 0.491071 0.829268
237 AMP NAD 0.491071 0.931507
238 0WD 0.491071 0.921053
239 YSA 0.490196 0.8
240 GTP 0.489362 0.894737
241 A7D 0.488636 0.776316
242 6FA 0.488 0.864198
243 NDC 0.487805 0.896104
244 NAJ PYZ 0.487179 0.829268
245 SA8 0.483516 0.707317
246 A5D 0.483516 0.810811
247 MHZ 0.483146 0.697674
248 71V 0.482759 0.883117
249 A3G 0.482353 0.8
250 ODP 0.482143 0.909091
251 Y3J 0.480519 0.726027
252 8PZ 0.480392 0.821429
253 FAD 0.480315 0.875
254 SFD 0.480315 0.752688
255 FAS 0.480315 0.875
256 7D7 0.48 0.743243
257 GGZ 0.479167 0.825
258 HDV 0.478723 0.868421
259 SAH 0.478261 0.74359
260 SAI 0.478261 0.734177
261 G A A A 0.477876 0.871795
262 NDP 0.477477 0.921053
263 NPW 0.477477 0.886076
264 PO4 PO4 A A A A PO4 0.474747 0.929577
265 SMM 0.473684 0.686047
266 NZQ 0.473214 0.909091
267 TXP 0.473214 0.921053
268 6IA 0.473118 0.814815
269 SAM 0.473118 0.690476
270 AAT 0.468085 0.707317
271 EEM 0.468085 0.690476
272 7C5 0.466667 0.818182
273 PGS 0.466667 0.858974
274 FNK 0.465649 0.804598
275 62F 0.465649 0.886076
276 U A 0.465517 0.907895
277 DA 0.465116 0.853333
278 D5M 0.465116 0.853333
279 A G 0.464912 0.883117
280 N6P 0.464646 0.915493
281 GSP 0.463918 0.85
282 2SA 0.463158 0.906667
283 FAY 0.462121 0.886076
284 A3T 0.461538 0.821918
285 U A G G 0.46087 0.883117
286 A A A 0.46 0.905405
287 AAM 0.45977 0.943662
288 GEK 0.459184 0.7375
289 RFL 0.458647 0.843373
290 6G0 0.458333 0.860759
291 S7M 0.458333 0.690476
292 4YB 0.457944 0.781609
293 C2R 0.457831 0.878378
294 AMZ 0.457831 0.890411
295 GDP 0.457447 0.894737
296 A3S 0.455556 0.810811
297 Z5A 0.454545 0.8
298 WSA 0.454545 0.809524
299 12D 0.453704 0.785714
300 XNP 0.452174 0.873418
301 8Q2 0.45045 0.793103
302 62X 0.45 0.666667
303 AIR 0.45 0.875
304 ETB 0.449153 0.811765
305 DCA 0.449153 0.802326
306 MGP 0.447917 0.860759
307 NIA 0.447059 0.8
308 A6D 0.445545 0.743902
309 K15 0.445545 0.682353
310 PUA 0.445378 0.884615
311 9JJ 0.445255 0.886076
312 6K6 0.444444 0.90411
313 V1N 0.443396 0.944444
314 0T1 0.441667 0.802326
315 COA 0.441667 0.802326
316 649 0.441441 0.764045
317 0UM 0.44 0.698795
318 P5F 0.438849 0.823529
319 GCP 0.438776 0.871795
320 G1R 0.438776 0.883117
321 GNH 0.4375 0.883117
322 3AD 0.4375 0.805556
323 101 0.436782 0.853333
324 NVA 2AD 0.43617 0.759494
325 NAP 0.434426 0.945205
326 9GM 0.434343 0.871795
327 GNP 0.434343 0.871795
328 APU 0.433628 0.894737
329 A U 0.433628 0.894737
330 KB1 0.432692 0.719512
331 F2N 0.432624 0.813953
332 7RP 0.431818 0.901408
333 CAO 0.430894 0.775281
334 TAP 0.430894 0.907895
335 AMX 0.430894 0.811765
336 DG1 0.430894 0.921053
337 COS 0.430894 0.784091
338 30N 0.430894 0.734043
339 1DG 0.430894 0.921053
340 2VA 0.430108 0.8
341 S8M 0.43 0.759494
342 GTG 0.429907 0.886076
343 FA9 0.429577 0.864198
344 MGO 0.428571 0.8375
345 SCO 0.427419 0.802326
346 CMX 0.427419 0.802326
347 NA0 0.427419 0.932432
348 NHD 0.42735 0.931507
349 7RA 0.426966 0.930556
350 AS 0.426966 0.810127
351 QQY 0.425287 0.815789
352 ACK 0.425287 0.861111
353 ACO 0.424 0.775281
354 FAM 0.424 0.784091
355 FCX 0.424 0.775281
356 CC5 0.423077 0.816901
357 SXZ 0.423077 0.710843
358 EO7 0.422222 0.788235
359 8BR 0.422222 0.881579
360 IDP 0.421053 0.893333
361 ZDA 0.421053 0.84
362 HAX 0.420635 0.784091
363 GDC 0.420561 0.884615
364 GKE 0.420561 0.884615
365 GDD 0.420561 0.884615
366 J7V 0.419355 0.833333
367 TM1 0.419048 0.77381
368 2MC 0.418605 0.75
369 CMP 0.417582 0.928571
370 2BA 0.417582 0.942857
371 FYN 0.417323 0.802326
372 3KK 0.417323 0.784091
373 SLU 0.416667 0.790698
374 SO8 0.416667 0.789474
375 7L1 0.416 0.775281
376 NMN AMP PO4 0.415254 0.894737
377 26A 0.414634 0.763158
378 HF7 0.414141 0.868421
379 MCD 0.414062 0.784091
380 SOP 0.414062 0.784091
381 COK 0.414062 0.784091
382 CA6 0.414062 0.71134
383 OXK 0.414062 0.784091
384 QQX 0.413793 0.805195
385 G2R 0.413462 0.860759
386 PRT 0.411215 0.905405
387 FAI 0.411111 0.890411
388 RMB 0.411111 0.847222
389 CO6 0.410853 0.784091
390 1VU 0.410853 0.775281
391 CMC 0.410853 0.784091
392 NMX 0.410853 0.741935
393 SCA 0.409091 0.784091
394 SP1 0.409091 0.866667
395 ANZ 0.409091 0.8
396 1RB 0.409091 0.859155
397 RP1 0.409091 0.866667
398 NFD 0.408333 0.907895
399 SCD 0.407692 0.802326
400 CAJ 0.407692 0.784091
401 D3Y 0.405941 0.813333
402 KH3 0.405405 0.674419
403 A C A C 0.404959 0.871795
404 N01 0.404959 0.931507
405 A1S 0.40458 0.784091
406 3HC 0.40458 0.793103
407 BCO 0.40458 0.784091
408 IVC 0.40458 0.793103
409 MLC 0.40458 0.784091
410 1HE 0.40458 0.766667
411 G 0.404255 0.881579
412 5GP 0.404255 0.881579
413 R5I 0.40404 0.893333
414 R7I 0.40404 0.893333
415 G2Q 0.403846 0.860759
416 3D1 0.402439 0.773333
417 3L1 0.402439 0.773333
418 VRT 0.402062 0.769231
419 COO 0.401515 0.784091
420 MCA 0.401515 0.775281
421 CAA 0.401515 0.793103
422 YE1 0.401515 0.813953
423 3NZ 0.4 0.805195
424 GMV 0.4 0.871795
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3LOO; Ligand: B4P; Similar sites found with APoc: 182
This union binding pocket(no: 1) in the query (biounit: 3loo.bio2) has 36 residues
No: Leader PDB Ligand Sequence Similarity
1 1UO4 PIH None
2 4WG0 CHD None
3 1BWO LPC None
4 3VOT ADP 1.09589
5 3BP1 GUN 1.37931
6 1UA4 GLC 1.64384
7 1UA4 BGC 1.64384
8 1UA4 AMP 1.64384
9 1U1J MET 1.64384
10 1O9U ADZ 1.71429
11 4OIT MAN 1.76991
12 2UW1 GVM 1.77515
13 4AQ4 G3P 1.91781
14 4UCC ZKW 1.91781
15 6GIN IR2 1.99336
16 3THR C2F 2.04778
17 5OD2 5ID 2.19178
18 5OD2 GLC 2.19178
19 5W75 GDP 2.19178
20 4M3P HCS 2.19178
21 2OG2 MLI 2.22841
22 1JPA ANP 2.24359
23 2EB5 OXL 2.24719
24 5WGQ EST 2.29885
25 5DX3 EST 2.29885
26 5DXG EST 2.29885
27 4MG9 27K 2.35294
28 4MGA 27L 2.35294
29 4MGD 27N 2.35294
30 4TV1 36M 2.39044
31 3UUA 0CZ 2.39044
32 1D8C SOR 2.46575
33 1T0S BML 2.46575
34 3B6C SDN 2.5641
35 5HCV 60R 2.72374
36 5IM3 DTP 2.73973
37 4N6H EJ4 2.73973
38 3ORQ ADP 2.73973
39 5OLK DTP 2.73973
40 3WVR AMP 2.73973
41 3LRE ADP 2.8169
42 2VVG ADP 2.85714
43 1SBR VIB 3
44 6EOM ALA LYS 3.0137
45 3U6B GDP 3.0137
46 4CYI ATP 3.0137
47 3RGA LSB 3.18021
48 5TVI MYR 3.26087
49 2CIX CEJ 3.28767
50 4MRP GSH 3.28767
51 4RW3 PLM 3.31126
52 4RW3 IPD 3.31126
53 5TQZ GLC 3.33333
54 4J26 EST 3.33333
55 4J24 EST 3.33333
56 2YJD YJD 3.33333
57 3AB4 THR 3.37079
58 2DTJ THR 3.37079
59 5C8W PCG 3.4965
60 1M2Z DEX 3.50195
61 4EN4 GT0 3.52564
62 4EN4 GT1 3.52564
63 4EN4 ATP 3.52564
64 4P6X HCY 3.52941
65 1Q19 SSC 3.56164
66 4WBD CIT 3.56164
67 6FXR AKG 3.62117
68 2CBZ ATP 3.79747
69 5ZXD ATP 3.83562
70 4R78 AMP 3.8835
71 3VPD ANP 3.91459
72 5UGW GSH 4
73 3GD8 GOL 4.03587
74 5N53 8NB 4.10256
75 1BRW URA 4.10959
76 1D2E GDP 4.10959
77 5Z3I ADE 4.15094
78 3BMN AX3 4.16667
79 2UXI G50 4.28571
80 3NNT DQA 4.34783
81 4PYA 2X3 4.34783
82 3RZ3 U94 4.37158
83 4IA6 EIC 4.38356
84 4UX9 ANP 4.3956
85 4AMF ACP 4.42177
86 1IZC PYR 4.42478
87 1GOJ ADP 4.50704
88 5ZI9 FLC 4.61538
89 5O0J 8BR 4.65753
90 5O0J GLC 4.65753
91 5O5Y GLC 4.65753
92 3HP9 CF1 4.65753
93 4C5N PXL 4.71014
94 4C5N ACP 4.71014
95 4TO8 FLC 4.79452
96 4F06 PHB 4.93151
97 4J0Q GDP 4.93151
98 1PDZ PGA 4.93151
99 5W7Q GDP 4.93151
100 4USF 6UI 4.93421
101 3GQT UFO 5.01253
102 4GNC ASO 5.01672
103 4DZ1 DAL 5.01931
104 2JGV ADP 5.15152
105 2JG1 TA6 5.15152
106 2JG1 ANP 5.15152
107 3DRW AMP 5.20548
108 2BO4 FLC 5.20548
109 3UPY FOM 5.20548
110 5YF9 NIO 5.20548
111 5L8L ADP 5.26316
112 3AI3 SOE 5.32319
113 3ZS7 ATP 5.33333
114 4WGF HX2 5.36585
115 5L3S G 5.36913
116 4MZU TYD 5.44872
117 4H9T HL4 5.47945
118 1MID LAP 5.49451
119 5YSQ INS 5.59441
120 2Q8G AZX 5.75342
121 6B9T 2HE 5.75342
122 3KP6 SAL 5.96026
123 2J5V PCA 6.26703
124 4KBA 1QM 6.34441
125 5LX9 OLB 6.51466
126 4XF6 LIP 6.59341
127 4XF6 INS 6.59341
128 4XF6 ADP 6.59341
129 5O2Z FLC 6.72269
130 4DDY DN6 6.84411
131 6H5E ANP 6.84932
132 2BHZ MAL 7.12329
133 3GN8 DEX 7.12329
134 6FOG OXL 7.14286
135 3W9K MYR 7.19424
136 3FSY SCA 7.53012
137 2NU8 COA 7.63889
138 3O01 DXC 7.67123
139 5YW5 ADE 7.82123
140 2P3V SRT 8.20312
141 5LWY OLB 8.41121
142 1IXE CIT 8.49315
143 1GQY ACP 8.63158
144 5C1M OLC 8.8
145 1XZ3 ICF 9.1954
146 1VLH PNS 9.24856
147 1ZEI CRS 9.43396
148 1XPJ TLA 9.52381
149 2P7Q GG6 9.77444
150 2QQC AG2 9.82143
151 1KK1 GNP 10.411
152 5D1R 56S 10.4603
153 2QN6 GDP 10.7527
154 2GBB CIT 10.8974
155 4JLS 3ZE 11.1842
156 2VAR KDG 11.8211
157 2VAR KDF 11.8211
158 2VAR ANP 11.8211
159 2VAR AMP 11.8211
160 2WJG GDP 12.234
161 3RF4 FUN 12.931
162 2HCJ GDP 13.5135
163 3B1Q NOS 16.5644
164 4O4Z N2O 16.8831
165 5C5T AKG 17.1053
166 3CQD ATP 18.123
167 2HW1 FRU 18.4564
168 2HW1 ANP 18.4564
169 3RV5 DXC 19.1011
170 2C49 ANP 20.8609
171 2C49 ADN 20.8609
172 5Z84 CHD 25.4237
173 5ZCO CHD 25.4237
174 3GAC ENO 25.641
175 2Y69 CHD 28.75
176 1RKD ADP 30.7443
177 1RKD RIB 30.7443
178 4XDA ADP 32.6861
179 4XDA RIB 32.6861
180 1V1A KDG 39.4822
181 1V1A ADP 39.4822
182 3NC9 TR3 41.853
Pocket No.: 2; Query (leader) PDB : 3LOO; Ligand: B4P; Similar sites found with APoc: 79
This union binding pocket(no: 2) in the query (biounit: 3loo.bio1) has 36 residues
No: Leader PDB Ligand Sequence Similarity
1 4QCK ASD 1.36986
2 1K9J NAG MAN MAN MAN NAG 1.43885
3 5X3R 7Y3 1.95122
4 3TXO 07U 1.983
5 2GUE NAG 2.45902
6 5AWM ANP 2.46575
7 4ZV1 ARG 2.57511
8 3KRL KRL 2.68657
9 4HZ0 1AV 2.8169
10 2W58 ADP 2.9703
11 4LH7 1X8 3.09598
12 1SL4 MAN MAN MAN MAN 3.22581
13 4K37 SAM 3.28767
14 4K39 SAM 3.28767
15 4K38 SAM 3.28767
16 1JAY F42 3.30189
17 4Z7X 3CX 3.36134
18 6BSX E7S 3.37079
19 4ZGP ADP 3.41297
20 4ZVF GAV 3.48837
21 4L9Z OXL 3.53982
22 2QK4 ATP 3.56164
23 6MVU K4V 3.56164
24 5MJA 7O3 3.60656
25 2F2G HMH 3.61991
26 2OG7 AHB 3.64146
27 1C3Q TZE 4.10959
28 2V57 PRL 4.10959
29 2FUE M1P 4.19847
30 3ZO7 K6H 4.25532
31 5C2F JTH 4.31655
32 2NCD ADP 4.38356
33 2IF8 ADP 4.40771
34 4DYG MES 4.5082
35 5Y86 HRM 4.65753
36 5DZT AMP 4.65753
37 5VLQ ANP 4.65753
38 1UPR 4IP 4.87805
39 1JJ7 ADP 5
40 3DLS ADP 5.07463
41 1OPK MYR 5.20548
42 2OFW ADX 5.47945
43 4XZ3 ACP 5.60345
44 5YV5 ADP 5.75342
45 1YQC GLV 5.88235
46 5ZCT ANP 5.88235
47 5U97 PIT 6.0274
48 2V7O DRN 6.25
49 5OES ADP 6.30137
50 2PUL ACP 6.30137
51 1OIJ AKG 6.31229
52 2F2U M77 6.57534
53 5E4R 40E 6.57534
54 1TZD ADP 6.84932
55 3LE7 ADE 6.89655
56 2VN9 GVD 6.97674
57 4LBP 1WG 7
58 1W2D ADP 7.12329
59 4Y8D 49J 7.35294
60 2PZE ATP 8.29694
61 1MZV AMP 8.51064
62 1P6O HPY 8.69565
63 1L0I PSR 8.97436
64 4OGQ 7PH 9.375
65 2FB3 MET 9.41177
66 2FB3 5AD 9.41177
67 5T8O 76Z 9.45559
68 5TPV TYD 9.80392
69 3WBZ ATP 9.9631
70 5U32 GDP 12.7119
71 5X80 SAL 13.125
72 3CF6 SP1 14.3713
73 3GF2 SAL 14.3836
74 5UPK ANP 15.1351
75 4V1F BQ1 17.4419
76 6BYF CIT 17.6471
77 5W97 CHD 25.4237
78 4CPB GAL CN8 25.6198
79 4DC2 ADE 32.1429
Pocket No.: 3; Query (leader) PDB : 3LOO; Ligand: B4P; Similar sites found with APoc: 32
This union binding pocket(no: 3) in the query (biounit: 3loo.bio3) has 35 residues
No: Leader PDB Ligand Sequence Similarity
1 1OXV ANP 1.69972
2 4U00 ADP 2.04918
3 2AWN ADP 2.46575
4 5Y5Q DUT 2.87356
5 1YQT ADP 3.0137
6 3TUR DGL 3.13589
7 4WNP 3RJ 3.13589
8 5N6N SUC 3.28767
9 1G6H ADP 3.50195
10 5YBL AKG 3.50318
11 2GEK GDP 3.56164
12 6F5W KG1 4.10959
13 3RS8 APR 4.38356
14 2Z9I GLY ALA THR VAL 4.65753
15 5TVF PUT 4.70588
16 1O4T OXL 5.26316
17 4O08 PO6 5.29595
18 1OIK AKG 6.31229
19 5F90 LMR 6.41026
20 3VPH FBP 6.45161
21 5V6F MAN BMA MAN 6.52174
22 5DNC ASN 6.57534
23 2GK6 ADP 7.12329
24 3B5J 12D 7.40741
25 3HQ9 OXL 7.82609
26 3P48 DUP 8.16327
27 1JT2 FER 9.32836
28 4BKS X6C 9.87654
29 6DWI HD4 10.7296
30 2WEL K88 12
31 4AU8 Z3R 15.2027
32 3IWD M2T 17.7419
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