Receptor
PDB id Resolution Class Description Source Keywords
4EN4 2.15 Å EC: 2.7.1.35 CRYSTAL STRUCTURE OF THE TERNARY HUMAN PL KINASE-GINKGOTOXIN COMPLEX HOMO SAPIENS TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.: CRYSTAL STRUCTURES OF HUMAN PYRIDOXAL KINASE IN COM THE NEUROTOXINS, GINKGOTOXIN AND THEOPHYLLINE: INSI PYRIDOXAL KINASE INHIBITION. PLOS ONE V. 7 40954 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ATP A:404;
B:404;
 Valid;
Valid;
 none;
none;
 submit data
507.181 C10 H16 N5 O13 P3 c1nc(...
GT0 A:405;
B:414;
 Valid;
Valid;
 none;
none;
 Ki = 3 uM
183.204 C9 H13 N O3 Cc1c(...
GT1 A:410;
B:405;
 Valid;
Valid;
 none;
none;
 submit data
263.184 C9 H14 N O6 P Cc1c(...
MG A:401;
A:403;
B:401;
B:403;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
 submit data
24.305 Mg [Mg+2...
MPD A:406;
B:406;
B:407;
B:408;
B:409;
B:410;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
 submit data
118.174 C6 H14 O2 C[C@@...
NA A:402;
B:402;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
22.99 Na [Na+]
SO4 A:407;
A:408;
A:409;
B:411;
B:412;
B:413;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
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
4EN4 2.15 Å EC: 2.7.1.35 CRYSTAL STRUCTURE OF THE TERNARY HUMAN PL KINASE-GINKGOTOXIN COMPLEX HOMO SAPIENS TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.: CRYSTAL STRUCTURES OF HUMAN PYRIDOXAL KINASE IN COM THE NEUROTOXINS, GINKGOTOXIN AND THEOPHYLLINE: INSI PYRIDOXAL KINASE INHIBITION. PLOS ONE V. 7 40954 2012
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3FHY - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
2 4EN4 Ki = 3 uM GT0 C9 H13 N O3 Cc1c(c(c(c....
3 4EOH Ki = 50 uM TEP C7 H8 N4 O2 CN1c2c([nH....
4 3FHX - PLP C8 H10 N O6 P Cc1c(c(c(c....
5 2YXU - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3FHY - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
2 4EN4 Ki = 3 uM GT0 C9 H13 N O3 Cc1c(c(c(c....
3 4EOH Ki = 50 uM TEP C7 H8 N4 O2 CN1c2c([nH....
4 3FHX - PLP C8 H10 N O6 P Cc1c(c(c(c....
5 2YXU - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3FHY - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
2 4EN4 Ki = 3 uM GT0 C9 H13 N O3 Cc1c(c(c(c....
3 4EOH Ki = 50 uM TEP C7 H8 N4 O2 CN1c2c([nH....
4 3FHX - PLP C8 H10 N O6 P Cc1c(c(c(c....
5 2YXU - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
6 3ZS7 - 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: GT0; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 GT0 1 1
2 UEG 0.609756 0.853659
3 GT1 0.568627 0.75
4 PXM 0.568182 0.717391
5 PXP 0.444444 0.679245
6 PXL 0.408163 0.756098
Ligand no: 3; Ligand: GT1; Similar ligands found: 69
No: Ligand ECFP6 Tc MDL keys Tc
1 GT1 1 1
2 PXP 0.686275 0.886792
3 PMP 0.673077 0.793103
4 PLR 0.576923 0.846154
5 PMH 0.569231 0.643836
6 GT0 0.568627 0.75
7 PLG 0.564516 0.746032
8 IN5 0.564516 0.783333
9 2BK 0.545455 0.786885
10 TLP 0.545455 0.786885
11 PLS 0.545455 0.746032
12 2BO 0.545455 0.786885
13 PDA 0.538462 0.758065
14 P1T 0.538462 0.686567
15 PDD 0.538462 0.758065
16 PP3 0.538462 0.758065
17 33P 0.530303 0.830508
18 IK2 0.530303 0.686567
19 5PA 0.522388 0.686567
20 PLP 0.517857 0.830189
21 C6P 0.514706 0.71875
22 PPD 0.514706 0.71875
23 7XF 0.514286 0.69697
24 ILP 0.514286 0.761905
25 PZP 0.508772 0.767857
26 PY5 0.507246 0.727273
27 PLA 0.507246 0.727273
28 P0P 0.5 0.830189
29 CBA 0.492958 0.723077
30 PDG 0.492958 0.69697
31 PGU 0.492958 0.69697
32 7TS 0.492958 0.61039
33 LCS 0.486111 0.626667
34 DCS 0.486111 0.618421
35 QLP 0.486111 0.657143
36 PL2 0.486111 0.701493
37 PMG 0.486111 0.705882
38 PY6 0.479452 0.705882
39 HEY 0.479452 0.676471
40 76U 0.479452 0.686567
41 ORX 0.472973 0.686567
42 EA5 0.472973 0.691176
43 3LM 0.472973 0.757576
44 N5F 0.472973 0.686567
45 PSZ 0.472973 0.666667
46 PPG 0.467532 0.686567
47 9YM 0.466667 0.723077
48 PE1 0.466667 0.686567
49 PXG 0.454545 0.71875
50 PL4 0.454545 0.686567
51 RW2 0.454545 0.666667
52 PL8 0.448718 0.613333
53 PLP PMP 0.447761 0.737705
54 GLY PLP 0.447761 0.745763
55 KAM 0.443038 0.712121
56 2B1 0.4375 0.638889
57 7B9 0.4375 0.638889
58 EPC 0.432836 0.785714
59 AN7 0.432836 0.767857
60 EXT 0.426471 0.733333
61 FOO 0.426471 0.716667
62 1D0 0.421687 0.666667
63 2B6 0.421687 0.613333
64 AQ3 0.421687 0.676471
65 4LM 0.414286 0.721311
66 PLP SER 0.414286 0.745763
67 0JO 0.414286 0.68254
68 MPM 0.408451 0.775862
69 KOU 0.402778 0.737705
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4EN4; Ligand: GT0; 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: 4en4.bio1) has 34 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4EN4; Ligand: GT1; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4en4.bio1) has 35 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4EN4; Ligand: GT1; Similar sites found: 117
This union binding pocket(no: 3) in the query (biounit: 4en4.bio1) has 38 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3TII ANP 0.02054 0.41888 0.641026
2 4D4U FUC NDG GAL FUC 0.01562 0.43232 1.60256
3 4D52 GIV 0.02035 0.42413 1.60256
4 4D52 GXL 0.02201 0.42183 1.60256
5 4GYI ADP 0.005418 0.44449 1.92308
6 4AZT LY2 0.008909 0.43772 1.92308
7 4OCV ANP 0.01304 0.41136 1.92308
8 4ZGP ADP 0.01269 0.41848 2.04778
9 1SGJ OAA 0.02655 0.42352 2.11268
10 3RFA SAM 0.01316 0.41436 2.24359
11 3LE7 ADE 0.008787 0.44882 2.29885
12 4FE2 ADP 0.01429 0.42315 2.35294
13 4U0W 16G 0.02093 0.40475 2.43902
14 4XBA GMP 0.02491 0.41087 2.5
15 4K37 SAM 0.004249 0.4415 2.5641
16 4K38 SAM 0.005329 0.42944 2.5641
17 1GC5 ADP 0.01089 0.42914 2.5641
18 4M26 AKG 0.02525 0.42393 2.5641
19 5I35 ANP 0.02048 0.40836 2.5641
20 4PQG NAG 0.03961 0.40755 2.5641
21 4YMJ 4EJ 0.04681 0.40713 2.63158
22 3HAV ATP 0.00501 0.46335 2.67559
23 2QIE 8CS 0.01488 0.41181 2.7027
24 3PUA OGA 0.01343 0.43897 2.88462
25 2XZ9 PYR 0.01804 0.43151 2.88462
26 2IF8 ADP 0.03613 0.41362 2.88462
27 5AWM ANP 0.02819 0.4117 2.88462
28 4PBG BGP 0.03694 0.40919 2.88462
29 5HVJ ANP 0.04535 0.4057 2.88462
30 4Y8D 49J 0.02279 0.40298 2.88462
31 3ORQ ADP 0.01768 0.40226 2.88462
32 4XF6 INS 0.0002203 0.44265 2.9304
33 4XF6 LIP 0.0002203 0.44265 2.9304
34 4XF6 ADP 0.0002681 0.43408 2.9304
35 2W58 ADP 0.02677 0.42603 2.9703
36 4OAR 2S0 0.0115 0.41081 3.10078
37 3HZT J60 0.04315 0.40198 3.20513
38 1UPR 4IP 0.003508 0.46712 3.25203
39 5GVR LMR 0.00248 0.48834 3.4188
40 2JG1 ANP 0.0008315 0.4588 3.52564
41 2AWN ADP 0.0174 0.43696 3.52564
42 1DNP MHF 0.01757 0.43363 3.52564
43 4LH7 1X8 0.01662 0.43016 3.52564
44 3LOO B4P 0.0007295 0.41225 3.52564
45 5VZ0 ADP 0.01746 0.41173 3.52564
46 2PYW ADP 0.01607 0.40416 3.52564
47 1OBD ATP 0.004115 0.45052 3.59477
48 4Z1D PEP 0.03033 0.4152 3.62319
49 4JGP PYR 0.03167 0.41836 3.68664
50 2CBZ ATP 0.0226 0.42515 3.79747
51 4X7Q 3YR 0.009073 0.42925 3.84615
52 3VOT ADP 0.04447 0.40129 3.84615
53 1G6H ADP 0.01668 0.43717 3.89105
54 3AB4 THR 0.01937 0.4242 3.93258
55 2DTJ THR 0.01905 0.42057 3.93258
56 3LGS ADE 0.04862 0.4085 4.11985
57 4U98 ACP 0.00421 0.44169 4.16667
58 3O94 NCA 0.03378 0.41329 4.2654
59 1UNH IXM 0.0353 0.40312 4.45205
60 3LRE ADP 0.02606 0.4277 4.48718
61 4AG5 ADP 0.04064 0.413 4.48718
62 5AVF TAU 0.03313 0.41173 4.48718
63 3AKK ADP 0.01633 0.4068 4.48718
64 1XPJ TLA 0.01622 0.43862 4.7619
65 2Z9I GLY ALA THR VAL 0.01163 0.44365 4.80769
66 5DZT AMP 0.0125 0.44067 4.80769
67 1GPM AMP 0.01873 0.43083 4.80769
68 1X8X TYR 0.03787 0.40496 4.80769
69 1MJT ITU 0.04228 0.40395 4.80769
70 4WOV 3SM 0.03705 0.40204 4.80769
71 1W2D ADP 0.01518 0.42571 4.90566
72 4UYG 73B 0.03385 0.41528 5.12821
73 3LQV ADE 0.03141 0.40015 5.21739
74 4LRJ ANP 0.02361 0.40534 5.32544
75 2DT9 THR 0.009171 0.44148 5.38922
76 1JPA ANP 0.04446 0.41914 5.44872
77 3V2U ATP 0.01642 0.40091 5.76923
78 1YQC GLV 0.007091 0.42017 5.88235
79 2VQD AP2 0.009166 0.4153 6.08974
80 5C1P ADP 0.01337 0.42463 6.20915
81 4DFU QUE 0.0106 0.44278 6.21118
82 2GQS ADP 0.02025 0.4086 6.32911
83 4KBA 1QM 0.03023 0.41386 6.41026
84 4TS1 TYR 0.03792 0.41246 6.41026
85 4PX9 ADP 0.03224 0.41236 6.41026
86 1KTG AMP 0.04286 0.40693 6.52174
87 4MN7 SME 0.04387 0.40161 6.71141
88 3B6C SDN 0.04548 0.40809 6.83761
89 5E5U MLI 0.02461 0.43163 7.19697
90 4WNP 3RJ 0.0122 0.4193 7.31707
91 3G58 988 0.02129 0.41806 7.37179
92 4TV1 36M 0.04076 0.41072 7.56972
93 1XK5 TPG 0.03177 0.41525 7.84314
94 1JI0 ATP 0.03685 0.41314 8.75
95 1IA9 ANP 0.01866 0.40408 8.92857
96 3RV5 DXC 0.01584 0.4133 8.98876
97 1RVV INI 0.04916 0.40248 9.09091
98 1QCI ADE 0.0252 0.42223 9.16031
99 5HWK BEZ 0.03029 0.41688 9.16667
100 4UWH JXM 0.005141 0.44145 9.61539
101 2J5V PCA 0.04349 0.40567 9.61539
102 3WCZ CIT 0.005007 0.4648 9.74026
103 4XDA RIB 0.001293 0.41961 10.0324
104 4XDA ADP 0.001293 0.41961 10.0324
105 1YQT ADP 0.04775 0.40881 10.5769
106 3KMW ATP 0.02409 0.40492 10.8527
107 3N1S 5GP 0.03376 0.40084 10.9244
108 4F9C 0SX 0.03014 0.40016 11.8056
109 3H4S ADP 0.02741 0.42532 12.5926
110 2AJH MET 0.0458 0.40678 12.7551
111 2B4B B33 0.0256 0.42379 12.8655
112 3WVR AMP 0.01904 0.41326 13.141
113 4AVB CMP 0.04012 0.40026 13.7821
114 2PZE ATP 0.0187 0.43468 13.9738
115 2VVG ADP 0.03266 0.42256 14.7436
116 2QX0 PH2 0.006657 0.46018 15.0943
117 4Q5H ANP 0.006694 0.4283 31.5789
Pocket No.: 4; Query (leader) PDB : 4EN4; Ligand: GT0; Similar sites found: 117
This union binding pocket(no: 4) in the query (biounit: 4en4.bio1) has 38 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3TII ANP 0.02054 0.41888 0.641026
2 4D4U FUC NDG GAL FUC 0.01562 0.43232 1.60256
3 4D52 GIV 0.02035 0.42413 1.60256
4 4D52 GXL 0.02201 0.42183 1.60256
5 4GYI ADP 0.005418 0.44449 1.92308
6 4AZT LY2 0.008909 0.43772 1.92308
7 4OCV ANP 0.01304 0.41136 1.92308
8 4ZGP ADP 0.01269 0.41848 2.04778
9 1SGJ OAA 0.02655 0.42352 2.11268
10 3RFA SAM 0.01316 0.41436 2.24359
11 3LE7 ADE 0.008787 0.44882 2.29885
12 4FE2 ADP 0.01429 0.42315 2.35294
13 4U0W 16G 0.02093 0.40475 2.43902
14 4XBA GMP 0.02491 0.41087 2.5
15 4K37 SAM 0.004249 0.4415 2.5641
16 4K38 SAM 0.005329 0.42944 2.5641
17 1GC5 ADP 0.01089 0.42914 2.5641
18 4M26 AKG 0.02525 0.42393 2.5641
19 5I35 ANP 0.02048 0.40836 2.5641
20 4PQG NAG 0.03961 0.40755 2.5641
21 4YMJ 4EJ 0.04681 0.40713 2.63158
22 3HAV ATP 0.00501 0.46335 2.67559
23 2QIE 8CS 0.01488 0.41181 2.7027
24 3PUA OGA 0.01343 0.43897 2.88462
25 2XZ9 PYR 0.01804 0.43151 2.88462
26 2IF8 ADP 0.03613 0.41362 2.88462
27 5AWM ANP 0.02819 0.4117 2.88462
28 4PBG BGP 0.03694 0.40919 2.88462
29 5HVJ ANP 0.04535 0.4057 2.88462
30 4Y8D 49J 0.02279 0.40298 2.88462
31 3ORQ ADP 0.01768 0.40226 2.88462
32 4XF6 INS 0.0002203 0.44265 2.9304
33 4XF6 LIP 0.0002203 0.44265 2.9304
34 4XF6 ADP 0.0002681 0.43408 2.9304
35 2W58 ADP 0.02677 0.42603 2.9703
36 4OAR 2S0 0.0115 0.41081 3.10078
37 3HZT J60 0.04315 0.40198 3.20513
38 1UPR 4IP 0.003508 0.46712 3.25203
39 5GVR LMR 0.00248 0.48834 3.4188
40 2JG1 ANP 0.0008315 0.4588 3.52564
41 2AWN ADP 0.0174 0.43696 3.52564
42 1DNP MHF 0.01757 0.43363 3.52564
43 4LH7 1X8 0.01662 0.43016 3.52564
44 3LOO B4P 0.0007295 0.41225 3.52564
45 5VZ0 ADP 0.01746 0.41173 3.52564
46 2PYW ADP 0.01607 0.40416 3.52564
47 1OBD ATP 0.004115 0.45052 3.59477
48 4Z1D PEP 0.03033 0.4152 3.62319
49 4JGP PYR 0.03167 0.41836 3.68664
50 2CBZ ATP 0.0226 0.42515 3.79747
51 4X7Q 3YR 0.009073 0.42925 3.84615
52 3VOT ADP 0.04447 0.40129 3.84615
53 1G6H ADP 0.01668 0.43717 3.89105
54 3AB4 THR 0.01937 0.4242 3.93258
55 2DTJ THR 0.01905 0.42057 3.93258
56 3LGS ADE 0.04862 0.4085 4.11985
57 4U98 ACP 0.00421 0.44169 4.16667
58 3O94 NCA 0.03378 0.41329 4.2654
59 1UNH IXM 0.0353 0.40312 4.45205
60 3LRE ADP 0.02606 0.4277 4.48718
61 4AG5 ADP 0.04064 0.413 4.48718
62 5AVF TAU 0.03313 0.41173 4.48718
63 3AKK ADP 0.01633 0.4068 4.48718
64 1XPJ TLA 0.01622 0.43862 4.7619
65 2Z9I GLY ALA THR VAL 0.01163 0.44365 4.80769
66 5DZT AMP 0.0125 0.44067 4.80769
67 1GPM AMP 0.01873 0.43083 4.80769
68 1X8X TYR 0.03787 0.40496 4.80769
69 1MJT ITU 0.04228 0.40395 4.80769
70 4WOV 3SM 0.03705 0.40204 4.80769
71 1W2D ADP 0.01518 0.42571 4.90566
72 4UYG 73B 0.03385 0.41528 5.12821
73 3LQV ADE 0.03141 0.40015 5.21739
74 4LRJ ANP 0.02361 0.40534 5.32544
75 2DT9 THR 0.009171 0.44148 5.38922
76 1JPA ANP 0.04446 0.41914 5.44872
77 3V2U ATP 0.01642 0.40091 5.76923
78 1YQC GLV 0.007091 0.42017 5.88235
79 2VQD AP2 0.009166 0.4153 6.08974
80 5C1P ADP 0.01337 0.42463 6.20915
81 4DFU QUE 0.0106 0.44278 6.21118
82 2GQS ADP 0.02025 0.4086 6.32911
83 4KBA 1QM 0.03023 0.41386 6.41026
84 4TS1 TYR 0.03792 0.41246 6.41026
85 4PX9 ADP 0.03224 0.41236 6.41026
86 1KTG AMP 0.04286 0.40693 6.52174
87 4MN7 SME 0.04387 0.40161 6.71141
88 3B6C SDN 0.04548 0.40809 6.83761
89 5E5U MLI 0.02461 0.43163 7.19697
90 4WNP 3RJ 0.0122 0.4193 7.31707
91 3G58 988 0.02129 0.41806 7.37179
92 4TV1 36M 0.04076 0.41072 7.56972
93 1XK5 TPG 0.03177 0.41525 7.84314
94 1JI0 ATP 0.03685 0.41314 8.75
95 1IA9 ANP 0.01866 0.40408 8.92857
96 3RV5 DXC 0.01584 0.4133 8.98876
97 1RVV INI 0.04916 0.40248 9.09091
98 1QCI ADE 0.0252 0.42223 9.16031
99 5HWK BEZ 0.03029 0.41688 9.16667
100 4UWH JXM 0.005141 0.44145 9.61539
101 2J5V PCA 0.04349 0.40567 9.61539
102 3WCZ CIT 0.005007 0.4648 9.74026
103 4XDA RIB 0.001293 0.41961 10.0324
104 4XDA ADP 0.001293 0.41961 10.0324
105 1YQT ADP 0.04775 0.40881 10.5769
106 3KMW ATP 0.02409 0.40492 10.8527
107 3N1S 5GP 0.03376 0.40084 10.9244
108 4F9C 0SX 0.03014 0.40016 11.8056
109 3H4S ADP 0.02741 0.42532 12.5926
110 2AJH MET 0.0458 0.40678 12.7551
111 2B4B B33 0.0256 0.42379 12.8655
112 3WVR AMP 0.01904 0.41326 13.141
113 4AVB CMP 0.04012 0.40026 13.7821
114 2PZE ATP 0.0187 0.43468 13.9738
115 2VVG ADP 0.03266 0.42256 14.7436
116 2QX0 PH2 0.006657 0.46018 15.0943
117 4Q5H ANP 0.006694 0.4283 31.5789
Pocket No.: 5; Query (leader) PDB : 4EN4; Ligand: ATP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 4en4.bio1) has 35 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 4EN4; Ligand: ATP; Similar sites found: 104
This union binding pocket(no: 6) in the query (biounit: 4en4.bio1) has 38 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1O9U ADZ 0.01577 0.44239 1.60256
2 4D4U FUC NDG GAL FUC 0.01562 0.43232 1.60256
3 2R42 FPS 0.005758 0.42451 1.60256
4 4D52 GIV 0.02035 0.42413 1.60256
5 4D52 GXL 0.02201 0.42183 1.60256
6 4GYI ADP 0.005418 0.44449 1.92308
7 4AZT LY2 0.008909 0.43772 1.92308
8 4ZGP ADP 0.01269 0.41848 2.04778
9 3LE7 ADE 0.008787 0.44882 2.29885
10 4FE2 ADP 0.01429 0.42315 2.35294
11 4U0W 16G 0.02093 0.40475 2.43902
12 4XBA GMP 0.02491 0.41087 2.5
13 4K37 SAM 0.004249 0.4415 2.5641
14 1GC5 ADP 0.01089 0.42914 2.5641
15 4M26 AKG 0.02525 0.42393 2.5641
16 5I35 ANP 0.02048 0.40836 2.5641
17 4PQG NAG 0.03961 0.40755 2.5641
18 4YMJ 4EJ 0.04681 0.40713 2.63158
19 3PUA OGA 0.01343 0.43897 2.88462
20 2XZ9 PYR 0.01804 0.43151 2.88462
21 2IF8 ADP 0.03613 0.41362 2.88462
22 5AWM ANP 0.02819 0.4117 2.88462
23 4PBG BGP 0.03694 0.40919 2.88462
24 5HVJ ANP 0.04535 0.4057 2.88462
25 4Y8D 49J 0.02279 0.40298 2.88462
26 3ORQ ADP 0.01768 0.40226 2.88462
27 4XF6 LIP 0.0002203 0.44265 2.9304
28 4XF6 INS 0.0002203 0.44265 2.9304
29 4XF6 ADP 0.0002681 0.43408 2.9304
30 2W58 ADP 0.02677 0.42603 2.9703
31 4OAR 2S0 0.0115 0.41081 3.10078
32 3HZT J60 0.04315 0.40198 3.20513
33 1UPR 4IP 0.003508 0.46712 3.25203
34 5GVR LMR 0.00248 0.48834 3.4188
35 2AWN ADP 0.0174 0.43696 3.52564
36 1DNP MHF 0.01757 0.43363 3.52564
37 4LH7 1X8 0.01662 0.43016 3.52564
38 3LOO B4P 0.0007295 0.41225 3.52564
39 5VZ0 ADP 0.01746 0.41173 3.52564
40 2PYW ADP 0.01607 0.40416 3.52564
41 1OBD ATP 0.004115 0.45052 3.59477
42 4Z1D PEP 0.03033 0.4152 3.62319
43 4FGC PQ0 0.0316 0.41882 3.63636
44 2HW1 ANP 0.003275 0.43224 3.69128
45 2CBZ ATP 0.0226 0.42515 3.79747
46 4X7Q 3YR 0.009073 0.42925 3.84615
47 1G6H ADP 0.01668 0.43717 3.89105
48 3AB4 THR 0.01937 0.4242 3.93258
49 2DTJ THR 0.01905 0.42057 3.93258
50 3LGS ADE 0.04862 0.4085 4.11985
51 4U98 ACP 0.00421 0.44169 4.16667
52 3O94 NCA 0.03378 0.41329 4.2654
53 3LRE ADP 0.02606 0.4277 4.48718
54 4AG5 ADP 0.04064 0.413 4.48718
55 5AVF TAU 0.03313 0.41173 4.48718
56 1XPJ TLA 0.01622 0.43862 4.7619
57 2Z9I GLY ALA THR VAL 0.01163 0.44365 4.80769
58 5DZT AMP 0.0125 0.44067 4.80769
59 1GPM AMP 0.01873 0.43083 4.80769
60 1X8X TYR 0.03787 0.40496 4.80769
61 4WOV 3SM 0.03705 0.40204 4.80769
62 2F2U M77 0.04595 0.40054 4.80769
63 1W2D ADP 0.01518 0.42571 4.90566
64 4UYG 73B 0.03385 0.41528 5.12821
65 3LQV ADE 0.03141 0.40015 5.21739
66 4LRJ ANP 0.02361 0.40534 5.32544
67 4ME6 ADP 0.0357 0.4149 5.76923
68 1YQC GLV 0.007091 0.42017 5.88235
69 2VQD AP2 0.009166 0.4153 6.08974
70 5C1P ADP 0.01337 0.42463 6.20915
71 4DFU QUE 0.0106 0.44278 6.21118
72 4KBA 1QM 0.03023 0.41386 6.41026
73 4TS1 TYR 0.03792 0.41246 6.41026
74 4PX9 ADP 0.03224 0.41236 6.41026
75 1KTG AMP 0.04286 0.40693 6.52174
76 4MN7 SME 0.04387 0.40161 6.71141
77 3B6C SDN 0.04548 0.40809 6.83761
78 3CQD ATP 0.001538 0.40501 7.11974
79 5E5U MLI 0.02461 0.43163 7.19697
80 4WNP 3RJ 0.0122 0.4193 7.31707
81 3G58 988 0.02129 0.41806 7.37179
82 4TV1 36M 0.04076 0.41072 7.56972
83 1XK5 TPG 0.03177 0.41525 7.84314
84 1JI0 ATP 0.03685 0.41314 8.75
85 1IA9 ANP 0.01866 0.40408 8.92857
86 3RV5 DXC 0.01584 0.4133 8.98876
87 1RVV INI 0.04916 0.40248 9.09091
88 5HWK BEZ 0.03029 0.41688 9.16667
89 4UWH JXM 0.005141 0.44145 9.61539
90 2J5V PCA 0.04349 0.40567 9.61539
91 3WCZ CIT 0.005007 0.4648 9.74026
92 4XDA ADP 0.001293 0.41961 10.0324
93 4XDA RIB 0.001293 0.41961 10.0324
94 3KMW ATP 0.02409 0.40492 10.8527
95 3N1S 5GP 0.03376 0.40084 10.9244
96 4F9C 0SX 0.03014 0.40016 11.8056
97 1Q11 TYE 0.006775 0.45335 11.859
98 2NCD ADP 0.02699 0.42325 11.859
99 2AJH MET 0.0458 0.40678 12.7551
100 2B4B B33 0.0256 0.42379 12.8655
101 4PVV HO4 0.001526 0.402 13.4615
102 4AVB CMP 0.04012 0.40026 13.7821
103 1RKD RIB 0.00336 0.40401 18.4466
104 4Q5H ANP 0.006694 0.4283 31.5789
Feedback