Receptor
PDB id Resolution Class Description Source Keywords
3EFS 2.3 Å EC: 6.3.4.15 BIOTIN PROTEIN LIGASE FROM AQUIFEX AEOLICUS IN COMPLEX WITH BIOTIN AND ATP AQUIFEX AEOLICUS BPL ATP BIOTIN COMPLEX LIGASE
Ref.: STRUCTURAL AND FUNCTIONAL STUDIES OF THE BIOTIN PROTEIN LIGASE FROM AQUIFEX AEOLICUS REVEAL A CRITICAL ROLE FOR A CONSERVED RESIDUE IN TARGET SPECIFICITY J.MOL.BIOL. V. 387 129 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ATP A:1001;
B:1001;
Valid;
Valid;
none;
none;
Kd = 7.2 uM
507.181 C10 H16 N5 O13 P3 c1nc(...
BTN A:2001;
B:2001;
Valid;
Valid;
none;
none;
Kd = 3.5 uM
244.311 C10 H16 N2 O3 S C1[C@...
SO4 A:2002;
A:2003;
B:2002;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3EFS 2.3 Å EC: 6.3.4.15 BIOTIN PROTEIN LIGASE FROM AQUIFEX AEOLICUS IN COMPLEX WITH BIOTIN AND ATP AQUIFEX AEOLICUS BPL ATP BIOTIN COMPLEX LIGASE
Ref.: STRUCTURAL AND FUNCTIONAL STUDIES OF THE BIOTIN PROTEIN LIGASE FROM AQUIFEX AEOLICUS REVEAL A CRITICAL ROLE FOR A CONSERVED RESIDUE IN TARGET SPECIFICITY J.MOL.BIOL. V. 387 129 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 3EFS Kd = 7.2 uM ATP C10 H16 N5 O13 P3 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 3EFS Kd = 7.2 uM ATP C10 H16 N5 O13 P3 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 5 families.
1 2DXU - BT5 C20 H28 N7 O9 P S c1nc(c2c(n....
2 1WQW - BT5 C20 H28 N7 O9 P S c1nc(c2c(n....
3 1WNL - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
4 1X01 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
5 2E41 - BTX C20 H30 N7 O8 P S c1nc(c2c(n....
6 2ZGW - BTN C10 H16 N2 O3 S C1[C@H]2[C....
7 3EFS Kd = 7.2 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ATP; Similar ligands found: 404
No: Ligand ECFP6 Tc MDL keys Tc
1 ATP 1 1
2 AQP 0.985507 1
3 5FA 0.985507 1
4 B4P 0.927536 0.971831
5 AP5 0.927536 0.971831
6 BA3 0.913043 0.971831
7 ADP 0.9 1
8 A2D 0.884058 0.971831
9 SAP 0.84 0.945946
10 AGS 0.84 0.945946
11 AN2 0.810811 0.985915
12 25L 0.809524 0.985915
13 APR 0.802632 0.971831
14 AR6 0.802632 0.971831
15 M33 0.8 0.958333
16 TAT 0.794872 0.958904
17 ACQ 0.794872 0.972222
18 AD9 0.792208 0.972222
19 ACP 0.789474 0.972222
20 A 0.788732 0.971429
21 AMP 0.788732 0.971429
22 ANP 0.772152 0.972222
23 ADX 0.753247 0.873418
24 CA0 0.753247 0.945205
25 A22 0.746988 0.985915
26 50T 0.74359 0.958333
27 APC 0.734177 0.958904
28 PRX 0.734177 0.893333
29 ABM 0.733333 0.917808
30 ATF 0.731707 0.958904
31 ITT 0.730769 0.943662
32 7D4 0.730769 0.905405
33 ADQ 0.729412 0.945205
34 AMP MG 0.72 0.891892
35 AP2 0.714286 0.958904
36 A12 0.714286 0.958904
37 A1R 0.709302 0.907895
38 SRA 0.706667 0.918919
39 5AL 0.698795 0.931507
40 OAD 0.693182 0.945205
41 ADP MG 0.6875 0.905405
42 AU1 0.6875 0.972222
43 SRP 0.682353 0.906667
44 G5P 0.680851 0.921053
45 BEF ADP 0.679012 0.881579
46 ADP BEF 0.679012 0.881579
47 25A 0.678161 0.971831
48 3OD 0.677778 0.945205
49 4AD 0.670455 0.92
50 G3A 0.670213 0.921053
51 00A 0.662921 0.883117
52 ADV 0.662651 0.932432
53 ADP PO3 0.662651 0.943662
54 RBY 0.662651 0.932432
55 BIS 0.659341 0.933333
56 5SV 0.659091 0.848101
57 8QN 0.659091 0.931507
58 OOB 0.659091 0.931507
59 GTA 0.65625 0.886076
60 ATP MG 0.654762 0.905405
61 UP5 0.653061 0.92
62 AMO 0.651685 0.932432
63 PAJ 0.651685 0.884615
64 2A5 0.650602 0.918919
65 MAP 0.647727 0.945946
66 3AT 0.647059 0.971831
67 AHX 0.644444 0.896104
68 DLL 0.644444 0.931507
69 PAP 0.642857 0.985714
70 ATR 0.642857 0.971429
71 PTJ 0.641304 0.896104
72 7D3 0.6375 0.905405
73 3UK 0.637363 0.918919
74 SON 0.634146 0.932432
75 A4P 0.633663 0.843373
76 ALF ADP 0.632184 0.87013
77 ADP ALF 0.632184 0.87013
78 LAD 0.630435 0.860759
79 WAQ 0.630435 0.883117
80 PR8 0.630435 0.85
81 AFH 0.628866 0.884615
82 DTP 0.627907 0.905405
83 GAP 0.627907 0.893333
84 ANP MG 0.625 0.894737
85 VO4 ADP 0.625 0.931507
86 ADP VO4 0.625 0.931507
87 1ZZ 0.623656 0.839506
88 TXA 0.623656 0.932432
89 FYA 0.623656 0.905405
90 ME8 0.623656 0.839506
91 NB8 0.623656 0.896104
92 T5A 0.621359 0.841463
93 RAB 0.619718 0.84507
94 ADN 0.619718 0.84507
95 XYA 0.619718 0.84507
96 9SN 0.610526 0.871795
97 48N 0.61 0.896104
98 AP0 0.607843 0.896104
99 FA5 0.604167 0.906667
100 YAP 0.604167 0.894737
101 TXD 0.60396 0.907895
102 6V0 0.60396 0.896104
103 NXX 0.60396 0.932432
104 NAI 0.60396 0.907895
105 DND 0.60396 0.932432
106 NAX 0.60396 0.873418
107 ADP BMA 0.602151 0.918919
108 A2R 0.6 0.985915
109 OMR 0.598039 0.851852
110 TXE 0.598039 0.907895
111 XAH 0.597938 0.839506
112 DAL AMP 0.593407 0.905405
113 7DT 0.593023 0.985714
114 AOC 0.592593 0.821918
115 4UV 0.591837 0.894737
116 DDS 0.590909 0.878378
117 139 0.590476 0.873418
118 CNA 0.584906 0.932432
119 6AD 0.58427 0.909091
120 5AS 0.583333 0.77907
121 5N5 0.581081 0.819444
122 4UU 0.58 0.894737
123 4TC 0.576923 0.896104
124 ADJ 0.575472 0.851852
125 5CD 0.573333 0.805556
126 A4D 0.573333 0.819444
127 RGT 0.571429 0.958904
128 A3P 0.571429 0.971429
129 7D5 0.56962 0.878378
130 LAQ 0.568627 0.839506
131 YLP 0.563107 0.819277
132 A A 0.5625 0.944444
133 UPA 0.561905 0.907895
134 AV2 0.56044 0.917808
135 COD 0.559633 0.811765
136 4UW 0.557692 0.860759
137 JB6 0.556701 0.883117
138 3AM 0.555556 0.929577
139 ATP A A A 0.555556 0.930556
140 A2P 0.552941 0.957143
141 TYM 0.552381 0.906667
142 NA7 0.552083 0.958904
143 EP4 0.551282 0.753247
144 MYR AMP 0.55102 0.817073
145 PPS 0.549451 0.873418
146 YLB 0.54717 0.819277
147 YLC 0.54717 0.839506
148 NAD 0.545455 0.931507
149 DAT 0.545455 0.905405
150 G5A 0.544444 0.77907
151 M2T 0.544304 0.734177
152 DTA 0.544304 0.786667
153 3DH 0.54321 0.773333
154 128 0.542857 0.776471
155 AHZ 0.538462 0.817073
156 SSA 0.537634 0.8
157 GTP 0.537634 0.92
158 MTA 0.5375 0.773333
159 IOT 0.537037 0.831325
160 A3D 0.535714 0.918919
161 TYR AMP 0.534653 0.881579
162 AR6 AR6 0.533981 0.917808
163 7MD 0.533981 0.8625
164 YLA 0.53211 0.819277
165 AMP DBH 0.529412 0.893333
166 IMO 0.529412 0.929577
167 TAD 0.528846 0.884615
168 AYB 0.527273 0.809524
169 A5A 0.526882 0.807229
170 TSB 0.526316 0.819277
171 EAD 0.525424 0.873418
172 2AM 0.52439 0.943662
173 6RE 0.52381 0.759494
174 7DD 0.522727 0.985714
175 V3L 0.521739 0.971831
176 AVV 0.520833 0.896104
177 BTX 0.517857 0.841463
178 NAE 0.517241 0.894737
179 54H 0.515789 0.788235
180 VMS 0.515789 0.788235
181 52H 0.515789 0.77907
182 NSS 0.515464 0.8
183 BT5 0.513274 0.831325
184 NAQ 0.512821 0.871795
185 ZAS 0.511905 0.766234
186 A3N 0.511628 0.786667
187 J7C 0.511628 0.769231
188 5X8 0.511111 0.763158
189 53H 0.510417 0.77907
190 5CA 0.510417 0.8
191 ARU 0.510204 0.860759
192 ARG AMP 0.509434 0.829268
193 AF3 ADP 3PG 0.509259 0.8375
194 LA8 ALF 3PG 0.509259 0.8375
195 ALF ADP 3PG 0.509259 0.8375
196 ZID 0.508475 0.918919
197 P1H 0.508197 0.851852
198 OVE 0.505882 0.905405
199 S4M 0.505747 0.666667
200 LPA AMP 0.504673 0.817073
201 7MC 0.504587 0.841463
202 DZD 0.5 0.884615
203 LSS 0.5 0.761364
204 DSZ 0.5 0.8
205 P5A 0.5 0.744444
206 DSH 0.5 0.725
207 FB0 0.5 0.804598
208 MAO 0.5 0.759036
209 NDE 0.495935 0.932432
210 N0B 0.495798 0.819277
211 M24 0.495726 0.85
212 YLY 0.495726 0.809524
213 NJP 0.495575 0.945946
214 NVA LMS 0.494949 0.761364
215 MGP 0.494737 0.884615
216 6C6 0.494624 0.881579
217 NAJ PZO 0.491379 0.848101
218 0WD 0.491228 0.921053
219 LEU LMS 0.49 0.761364
220 6G0 0.489583 0.884615
221 GJV 0.488636 0.75
222 6FA 0.488189 0.841463
223 5AD 0.486842 0.746479
224 GSU 0.485149 0.77907
225 KAA 0.485149 0.752809
226 71V 0.483146 0.907895
227 NEC 0.482759 0.746667
228 A3G 0.482759 0.8
229 NAD IBO 0.482456 0.87013
230 ODP 0.482456 0.909091
231 FAS 0.48062 0.851852
232 FAD 0.48062 0.851852
233 7D7 0.480519 0.743243
234 FDA 0.480315 0.833333
235 N6P 0.48 0.915493
236 2SA 0.479167 0.932432
237 GP3 0.478723 0.921053
238 4TA 0.478261 0.807229
239 G A A A 0.478261 0.871795
240 SFG 0.478261 0.75
241 NPW 0.477876 0.886076
242 NDP 0.477876 0.921053
243 NDC 0.47619 0.871795
244 YSA 0.47619 0.77907
245 MGO 0.474227 0.860759
246 6IA 0.473684 0.8375
247 TXP 0.473684 0.921053
248 GDP 0.473684 0.92
249 NZQ 0.473684 0.909091
250 A7D 0.472527 0.776316
251 SFD 0.469231 0.734043
252 ZDA 0.468085 0.864865
253 SA8 0.468085 0.707317
254 A5D 0.468085 0.786667
255 12D 0.46789 0.785714
256 PGS 0.467391 0.883117
257 MHZ 0.467391 0.697674
258 62F 0.466165 0.8625
259 DA 0.465909 0.878378
260 D5M 0.465909 0.878378
261 GGZ 0.464646 0.825
262 SAH 0.463158 0.74359
263 SAI 0.463158 0.734177
264 NAJ PYZ 0.46281 0.85
265 FAY 0.462687 0.8625
266 Y3J 0.4625 0.726027
267 PO4 PO4 A A A A PO4 0.460784 0.902778
268 AAM 0.460674 0.971429
269 RFL 0.459259 0.821429
270 SMM 0.459184 0.686047
271 AMZ 0.458824 0.916667
272 C2R 0.458824 0.90411
273 SAM 0.458333 0.690476
274 A3S 0.456522 0.810811
275 FNK 0.455224 0.804598
276 7C5 0.453704 0.818182
277 AAT 0.453608 0.707317
278 EEM 0.453608 0.690476
279 XNP 0.452991 0.873418
280 AIR 0.451219 0.901408
281 62X 0.45098 0.666667
282 GSP 0.45 0.873418
283 ETB 0.45 0.833333
284 DCA 0.45 0.823529
285 U A G G 0.449153 0.883117
286 NIA 0.448276 0.822785
287 AMP NAD 0.447154 0.881579
288 A3T 0.446809 0.821918
289 K15 0.446602 0.682353
290 A A A 0.446602 0.905405
291 PUA 0.446281 0.884615
292 6K6 0.445545 0.930556
293 GEK 0.445545 0.7375
294 4YB 0.445455 0.761364
295 S7M 0.444444 0.690476
296 DG1 0.443548 0.921053
297 1DG 0.443548 0.921053
298 Z5A 0.443548 0.77907
299 COA 0.442623 0.823529
300 0T1 0.442623 0.823529
301 WSA 0.442478 0.788235
302 8BR 0.43956 0.906667
303 101 0.438202 0.878378
304 IDP 0.4375 0.918919
305 NAP 0.435484 0.945205
306 APU 0.434783 0.894737
307 A U 0.434783 0.87013
308 7RP 0.433333 0.928571
309 A6D 0.432692 0.722892
310 CAO 0.432 0.795455
311 AMX 0.432 0.833333
312 COS 0.432 0.804598
313 TAP 0.432 0.907895
314 J7V 0.432 0.833333
315 30N 0.432 0.752688
316 V1N 0.431193 0.917808
317 649 0.429825 0.744444
318 P5F 0.429577 0.823529
319 NA0 0.428571 0.932432
320 CMX 0.428571 0.823529
321 7RA 0.428571 0.957747
322 SCO 0.428571 0.823529
323 0UM 0.427184 0.698795
324 GAV 0.427184 0.884615
325 ACK 0.426966 0.861111
326 1RB 0.426966 0.885714
327 QQY 0.426966 0.815789
328 GCP 0.425743 0.896104
329 G1R 0.425743 0.907895
330 FAM 0.425197 0.804598
331 FCX 0.425197 0.795455
332 ACO 0.425197 0.795455
333 GNH 0.424242 0.907895
334 F2N 0.423611 0.813953
335 GDC 0.422018 0.884615
336 GDD 0.422018 0.884615
337 GKE 0.422018 0.884615
338 HAX 0.421875 0.804598
339 3AD 0.421687 0.805556
340 GNP 0.421569 0.896104
341 FA9 0.42069 0.864198
342 KB1 0.420561 0.698795
343 TM1 0.420561 0.77381
344 H6Y 0.42 0.945205
345 2MC 0.419847 0.769231
346 3KK 0.418605 0.804598
347 FYN 0.418605 0.823529
348 S8M 0.417476 0.759494
349 2VA 0.416667 0.8
350 NHD 0.416667 0.905405
351 26A 0.416667 0.763158
352 QQX 0.41573 0.805195
353 SOP 0.415385 0.804598
354 OXK 0.415385 0.804598
355 COK 0.415385 0.804598
356 MCD 0.415385 0.804598
357 CA6 0.415385 0.729167
358 YE1 0.413534 0.813953
359 FAI 0.413043 0.916667
360 AS 0.413043 0.833333
361 RMB 0.413043 0.873239
362 1VU 0.412214 0.795455
363 CO6 0.412214 0.804598
364 CMC 0.412214 0.804598
365 NMX 0.412214 0.76087
366 SXZ 0.411215 0.710843
367 ANZ 0.410714 0.8
368 SCA 0.410448 0.804598
369 PLP AAD 0.409836 0.741573
370 SCD 0.409091 0.823529
371 CAJ 0.409091 0.804598
372 NAD BBN 0.408759 0.841463
373 NVA 2AD 0.408163 0.74359
374 D3Y 0.407767 0.789474
375 CC5 0.407407 0.816901
376 U G A 0.407407 0.839506
377 KH3 0.40708 0.674419
378 SLU 0.406504 0.770115
379 G 0.40625 0.906667
380 5GP 0.40625 0.906667
381 BCO 0.406015 0.804598
382 IVC 0.406015 0.813953
383 A1S 0.406015 0.804598
384 MLC 0.406015 0.804598
385 3HC 0.406015 0.813953
386 1HE 0.406015 0.786517
387 GTG 0.405405 0.886076
388 NMN AMP PO4 0.404959 0.87013
389 3D1 0.404762 0.773333
390 3L1 0.404762 0.773333
391 CMP 0.404255 0.901408
392 2BA 0.404255 0.915493
393 SO8 0.40404 0.789474
394 VRT 0.40404 0.769231
395 MCA 0.402985 0.795455
396 CAA 0.402985 0.813953
397 COO 0.402985 0.804598
398 NAD CJ3 0.402878 0.811765
399 G2R 0.401869 0.884615
400 3NZ 0.401869 0.782051
401 ZZB 0.4 0.77381
402 MC4 0.4 0.76087
403 2FA 0.4 0.813333
404 2CP 0.4 0.795455
Ligand no: 2; Ligand: BTN; Similar ligands found: 17
No: Ligand ECFP6 Tc MDL keys Tc
1 BTN 1 1
2 BTQ 1 1
3 SHM 0.884615 1
4 SNR 0.807692 1
5 BH7 0.734375 0.921569
6 IMI 0.644068 0.803922
7 BTI 0.62069 0.914894
8 B1R 0.6 0.632353
9 BYT 0.581081 0.87037
10 41M 0.554054 0.830189
11 BNI 0.554054 0.656716
12 B9P 0.5 0.796296
13 ZOF 0.493333 0.833333
14 LUV 0.476744 0.745763
15 NVZ 0.457143 0.75
16 LH3 0.455556 0.666667
17 BSO 0.454545 0.79661
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3EFS; Ligand: ATP; Similar sites found: 4
This union binding pocket(no: 1) in the query (biounit: 3efs.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5DJ3 5DK 0.009312 0.41337 3.86266
2 1VJY 460 0.03442 0.40094 3.86266
3 5EYK 5U5 0.01019 0.42131 5.5794
4 2GU8 796 0.02255 0.42841 11.1588
Pocket No.: 2; Query (leader) PDB : 3EFS; Ligand: BTN; Similar sites found: 117
This union binding pocket(no: 2) in the query (biounit: 3efs.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5J8O 6GZ 0.0008723 0.42666 None
2 5N2F 8HW 0.001897 0.40405 None
3 5N2D 8J8 0.006264 0.40223 None
4 4RT1 C2E 0.001191 0.42208 1.28755
5 3SAO DBH 0.0009076 0.48162 1.71674
6 4B9E FAH 0.00994 0.4197 1.71674
7 4IEN GDP 0.002273 0.42918 1.84049
8 5BVE 4VG 0.02695 0.41148 2.14592
9 1SBR VIB 0.0165 0.40979 2.5
10 4CS4 AXZ 0.001136 0.46712 2.57511
11 4CS4 ANP 0.0008736 0.46586 2.57511
12 3ACL 3F1 0.001031 0.44458 2.57511
13 2PNC CLU 0.006101 0.43657 2.57511
14 5H9I XAN 0.00556 0.43475 2.57511
15 2BKX F6R 0.004122 0.42163 2.57511
16 5KJW 53C 0.0000341 0.4193 2.57511
17 2EB5 OXL 0.01609 0.41031 2.57511
18 4HWT 1B2 0.004212 0.40965 2.57511
19 3UYK 0CX 0.01279 0.40965 2.57511
20 5MW4 5JU 0.02271 0.40291 2.57511
21 4XMF HSM 0.003444 0.43229 2.71739
22 5T8U LPA 0.0002106 0.44121 3.00429
23 4IAW LIZ 0.01558 0.40254 3.00429
24 2GZM DGL 0.0164 0.40145 3.00429
25 4DHY GLC 0.01494 0.40082 3.00429
26 5LYH 7B8 0.008478 0.41325 3.10881
27 2J9D ADP 0.002744 0.4215 3.36134
28 2J9C ATP 0.007686 0.40842 3.36134
29 4HIA FMN 0.01882 0.40082 3.40909
30 4MOB ADP 0.0007838 0.48078 3.43348
31 5EW9 5VC 0.01714 0.43844 3.43348
32 2WOX NDP 0.006263 0.42286 3.43348
33 3VGL BGC 0.01311 0.41039 3.43348
34 2WME NAP 0.004103 0.41013 3.43348
35 1FS5 TLA 0.003564 0.42041 3.7594
36 1WD4 AHR 0.002127 0.44955 3.86266
37 3GTD MLI 0.006812 0.43208 3.86266
38 4X1Z FUC GAL NDG 0.01096 0.42883 3.86266
39 1RYD GLC 0.01209 0.41327 3.86266
40 3CM2 X23 0.01682 0.41267 3.86266
41 2NCD ADP 0.02608 0.40042 3.86266
42 4RYV ZEA 0.0002908 0.42419 3.87097
43 2YKL NLD 0.004407 0.42455 4.24528
44 4OYA 1VE 0.01258 0.42972 4.29185
45 2BJK NAD 0.007676 0.41879 4.29185
46 5EOB 5QQ 0.01875 0.41506 4.29185
47 3IWD M2T 0.0129 0.41526 4.41176
48 4NS0 PIO 0.008511 0.42878 4.51128
49 2G50 PYR 0.00572 0.44228 4.72103
50 3A5Z KAA 0.004967 0.41686 4.72103
51 3VSV XYS 0.01835 0.40503 4.72103
52 3TK1 GDP 0.02126 0.40415 4.72103
53 3A5Y KAA 0.009556 0.40118 4.72103
54 3HGM ATP 0.008153 0.40091 4.7619
55 2QHS OCA 0.002619 0.43998 5.15021
56 4I8P NAD 0.007328 0.41856 5.15021
57 3IWJ NAD 0.002559 0.4147 5.15021
58 4MTI 2DX 0.02271 0.40268 5.15021
59 3KYF 5GP 5GP 0.000844 0.46369 5.19481
60 1KGI T4A 0.001562 0.43581 5.51181
61 1OFL NGK GCD 0.001949 0.45056 5.5794
62 2RCU BUJ 0.004231 0.44706 5.5794
63 4A0M NAD 0.01522 0.40398 5.5794
64 3IP5 ALA 0.02573 0.40161 5.5794
65 1QKQ MAN 0.001203 0.45506 5.6338
66 2QHV OC9 0.002638 0.44492 5.71429
67 4DSU BZI 0.00003323 0.55407 5.82011
68 4GDX GLU 0.00799 0.42892 6.00858
69 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.01649 0.41922 6.00858
70 2JDR L20 0.01649 0.41922 6.00858
71 2IU8 PLM 0.001322 0.4192 6.00858
72 4I9B NAD 0.002071 0.41664 6.00858
73 4L3L 5FI 0.01069 0.40616 6.00858
74 5XLY C2E 0.001529 0.42298 6.43777
75 3WWX DIA 0.005543 0.42008 6.43777
76 1GPM AMP 0.01074 0.41909 6.43777
77 4M0R 644 0.02115 0.40615 6.43777
78 5KF6 NAD 0.01702 0.40061 6.43777
79 3U6B GDP 0.02073 0.40047 6.43777
80 2CJU PHX 0.00787 0.42517 6.61157
81 5L2J 6UL 0.002511 0.4648 6.86695
82 5L2J 70E 0.002677 0.4648 6.86695
83 1V3S ATP 0.002447 0.42177 6.89655
84 2G30 ALA ALA PHE 0.00006095 0.50109 7.29614
85 3LF0 ATP 0.00193 0.43 7.29614
86 2X61 CH 0.00671 0.41595 7.29614
87 4BQS ADP 0.0148 0.4122 7.38636
88 4TW7 37K 0.004893 0.41715 7.72532
89 3NCQ ATP 0.002656 0.40753 8.40336
90 5TVF CGQ 0.01057 0.40663 8.42105
91 5M6N 7H9 0.02012 0.40858 8.47458
92 4IV9 TSR 0.01515 0.41882 9.01288
93 4KCT PYR 0.01751 0.40414 9.01288
94 3E9I XAH 0.003655 0.42717 9.44206
95 2POC UD1 0.01818 0.40332 9.44206
96 3QSB 743 0.007945 0.4167 9.87124
97 1ULE GLA GAL NAG 0.01891 0.41239 10
98 3DLG GWE 0.005598 0.44633 10.7296
99 3KYG 5GP 5GP 0.004276 0.40936 10.7296
100 5F7R GLC GLC 0.007467 0.4008 10.7296
101 1I7M CG 0.006931 0.42414 11.9403
102 5UKL SIX 0.001374 0.44326 12.0172
103 5D9G GLU ASN LEU TYR PHE GLN 0.01375 0.40936 12.0172
104 2RDE C2E 0.001424 0.4078 12.0172
105 3G08 FEE 0.02096 0.41344 12.1212
106 2J3M PRI 0.004517 0.41552 12.4464
107 2J3M ATP 0.005874 0.40885 12.4464
108 1X54 4AD 0.005023 0.4151 12.8755
109 3IHB GLU 0.0295 0.40301 13.3047
110 3GXW SIN 0.00298 0.43466 13.5922
111 5KVA SAM 0.008306 0.40225 13.7339
112 5A89 ADP 0.00973 0.42121 15.4506
113 5A89 FMN 0.00973 0.42121 15.4506
114 4TWP AXI 0.04726 0.40179 16.309
115 4KBA 1QM 0.005773 0.42807 17.1674
116 5W4W 9WG 0.01205 0.40507 17.1674
117 1VJ7 GPX 0.008375 0.43092 18.8841
Pocket No.: 3; Query (leader) PDB : 3EFS; Ligand: BTN; Similar sites found: 22
This union binding pocket(no: 3) in the query (biounit: 3efs.bio2) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1O44 852 0.01425 0.40956 None
2 1KK1 GNP 0.01747 0.40418 2.57511
3 1WOQ BGC 0.01275 0.40676 3.00429
4 2J9D AMP 0.001301 0.42646 3.36134
5 3ZJX BOG 0.01949 0.40811 3.43348
6 3KRR DQX 0.04201 0.40317 3.43348
7 2RC8 DSN 0.03601 0.40016 3.43348
8 1UI0 URA 0.0116 0.40831 3.90244
9 1T90 NAD 0.01301 0.40477 4.29185
10 1GJW GLC 0.02191 0.40216 4.72103
11 5MX4 HPA 0.02394 0.40182 4.72103
12 4USI ATP 0.008061 0.40113 5.19481
13 2Z49 AMG 0.02486 0.40305 6.00858
14 1Q8S MAN MMA 0.01404 0.41715 6.43777
15 1OSS BEN 0.02392 0.40152 6.86695
16 3W6G FLC 0.02194 0.40358 6.94444
17 2AIQ BEN 0.009167 0.42283 7.79221
18 1LSH PLD 0.007648 0.41272 8.58369
19 3RF4 FUN 0.002894 0.44832 10.3448
20 2GU8 796 0.03149 0.40481 11.1588
21 2C5S AMP 0.01504 0.40741 11.588
22 3H0L ADP 0.01608 0.40597 12.766
Pocket No.: 4; Query (leader) PDB : 3EFS; Ligand: ATP; Similar sites found: 2
This union binding pocket(no: 4) in the query (biounit: 3efs.bio2) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3WXL ADP 0.001082 0.45059 3.43348
2 5ML3 DL3 0.0414 0.40198 5.15021
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