Receptor
PDB id Resolution Class Description Source Keywords
4RDI 1.95 Å EC: 6.1.-.- CRYSTAL STRUCTURE OF E. COLI TRNA N6-THREONYLCARBAMOYLADENOS DEHYDRATASE, TCDA ESCHERICHIA COLI ROSSMANN FOLD DEHYDRATASE LIGASE
Ref.: THE STRUCTURE OF ESCHERICHIA COLI TCDA (ALSO KNOWN REVEALS A NOVEL TOPOLOGY AND PROVIDES INSIGHT INTO BINDING SURFACE REQUIRED FOR N(6)-THREONYLCARBAMOYL DEHYDRATASE ACTIVITY. J.MOL.BIOL. V. 427 3074 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ATP C:301;
A:301;
D:301;
B:301;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
507.181 C10 H16 N5 O13 P3 c1nc(...
GOL C:302;
B:302;
A:302;
D:302;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4RDI 1.95 Å EC: 6.1.-.- CRYSTAL STRUCTURE OF E. COLI TRNA N6-THREONYLCARBAMOYLADENOS DEHYDRATASE, TCDA ESCHERICHIA COLI ROSSMANN FOLD DEHYDRATASE LIGASE
Ref.: THE STRUCTURE OF ESCHERICHIA COLI TCDA (ALSO KNOWN REVEALS A NOVEL TOPOLOGY AND PROVIDES INSIGHT INTO BINDING SURFACE REQUIRED FOR N(6)-THREONYLCARBAMOYL DEHYDRATASE ACTIVITY. J.MOL.BIOL. V. 427 3074 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4RDI - 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 3 families.
1 4RDI - ATP C10 H16 N5 O13 P3 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 3 families.
1 4RDI - 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
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4RDI; Ligand: ATP; Similar sites found: 392
This union binding pocket(no: 1) in the query (biounit: 4rdi.bio2) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4DD8 BAT 0.005504 0.43412 None
2 1TE2 PGA 0.01875 0.40694 None
3 3VYW SAM 0.0009496 0.42489 1.04167
4 4AZT SAM 0.001549 0.42831 1.38889
5 5E8J SAH 0.00352 0.42478 1.38889
6 4AZW SAM 0.002681 0.42005 1.38889
7 2V3A FAD 0.000009784 0.40546 1.38889
8 5E9W SAH 0.003531 0.40081 1.38889
9 1WG8 SAM 0.001846 0.43432 1.40351
10 1I36 NAP 0.0009053 0.4171 1.51515
11 5EB4 FAD 0.00004344 0.53027 1.73611
12 3UCL NAP 0.0001719 0.52584 1.73611
13 3UCL CYH 0.0001544 0.52584 1.73611
14 3UCL FAD 0.0001544 0.52584 1.73611
15 2O4C NAD 0.00004096 0.51834 1.73611
16 1XHC FAD 0.000003401 0.42521 1.73611
17 1ZH8 NAP 0.0001437 0.41382 1.73611
18 1O6Z NAD 0.005624 0.41292 1.73611
19 5TTJ FAD 0.000003755 0.41237 1.73611
20 4J4H 1J1 0.000113 0.51775 1.9305
21 4J4H NAI 0.000113 0.51775 1.9305
22 1SC6 NAD 0.00003958 0.52065 2.08333
23 2DFV NAD 0.0003328 0.47239 2.08333
24 4KQW NAP 0.004937 0.42761 2.08333
25 3O7W SAM 0.004153 0.42148 2.08333
26 5G3U FDA 0.000003641 0.41663 2.08333
27 2IVD FAD 0.00001533 0.41357 2.08333
28 5DN9 NAD 0.00005271 0.40225 2.08333
29 2QJT AMP 0.0308 0.40021 2.08333
30 1I9G SAM 0.0005146 0.4531 2.14286
31 3FUU ADN 0.00003975 0.48797 2.21402
32 2VT3 ATP 0.0000003451 0.6176 2.32558
33 5ITV NAI 0.0007976 0.45987 2.35294
34 2GVC FAD 0.00003348 0.52555 2.43056
35 2FZW NAD 0.0003 0.49441 2.43056
36 2A92 NAI 0.0004935 0.47077 2.43056
37 1CF2 NAP 0.0005913 0.45958 2.43056
38 1UP7 NAD 0.0008719 0.45042 2.43056
39 5FA5 MTA 0.0007821 0.44997 2.43056
40 5X62 SAH 0.0006423 0.44916 2.43056
41 3PT9 SAH 0.0005299 0.44831 2.43056
42 2C7G FAD 0.01743 0.44565 2.43056
43 2C7G ODP 0.01691 0.44565 2.43056
44 1P0F NAP 0.002372 0.43972 2.43056
45 5JWC FAD 0.000001481 0.43882 2.43056
46 1Z3C SA8 0.003264 0.43077 2.43056
47 1R37 NAD 0.01963 0.42597 2.43056
48 3B20 NAD 0.0008572 0.40959 2.43056
49 5H81 NAP 0.001563 0.40956 2.43056
50 1VQW FAD 0.00004881 0.40905 2.43056
51 2GV8 FAD 0.00004433 0.40512 2.43056
52 2GV8 NDP 0.001228 0.40027 2.43056
53 4REP FAD 0.00001092 0.40017 2.43056
54 5MGZ SAH 0.002248 0.41571 2.54237
55 1P77 ATR 0.000006912 0.58143 2.57353
56 3T7S SAM 0.0007971 0.4407 2.61194
57 4XUC SAM 0.0007477 0.46524 2.75229
58 4XUC 43G 0.0007477 0.46524 2.75229
59 3FRH SAH 0.005799 0.41074 2.7668
60 2WPF FAD 0.0002433 0.53176 2.77778
61 2WPF WPF 0.0003328 0.52643 2.77778
62 2B9W FAD 0.0005442 0.49258 2.77778
63 2PT9 S4M 0.0005093 0.46078 2.77778
64 2PT9 2MH 0.0009457 0.46056 2.77778
65 5JE8 NAD 0.00002423 0.45757 2.77778
66 4GLL NAD 0.003546 0.43175 2.77778
67 3VSE SAH 0.006213 0.41752 2.77778
68 3ABI NAD 0.0000901 0.41243 2.77778
69 4J7U NAP 0.01828 0.40917 2.77778
70 4J7U YTZ 0.01828 0.40917 2.77778
71 1SQF SAM 0.004329 0.40913 2.77778
72 2Q7V FAD 0.000002759 0.40744 2.77778
73 4UCI ADN 0.02109 0.40508 2.77778
74 3KB6 NAD 0.0002954 0.40429 2.77778
75 3OA2 NAD 0.0002593 0.40254 2.77778
76 4JJF FE9 0.0002651 0.40746 2.90698
77 1JG3 ADN 0.0007199 0.4426 2.97872
78 5N5D SAM 0.001671 0.42893 3.09735
79 3P2E SAH 0.001187 0.42166 3.11111
80 5JCM NAD 0.00005569 0.54764 3.125
81 5JCM FAD 0.00005355 0.54764 3.125
82 5JCM ISD 0.00005588 0.54757 3.125
83 3CGD COA 0.0001316 0.5373 3.125
84 3CGD NAD 0.0001316 0.5373 3.125
85 3CGD FAD 0.0001316 0.5373 3.125
86 1GET FAD 0.0001302 0.53028 3.125
87 1GET NAP 0.0001398 0.53028 3.125
88 1X7D ORN 0.00004822 0.52416 3.125
89 1X7D NAD 0.00003636 0.51725 3.125
90 1FEC FAD 0.0004102 0.49111 3.125
91 2B4R AES 0.0001583 0.49014 3.125
92 2B4R NAD 0.00027 0.4812 3.125
93 1EBF NAD 0.0002364 0.47374 3.125
94 4ZGS NAD 0.0004339 0.46209 3.125
95 4C4A SAH 0.0003132 0.46034 3.125
96 2FK8 SAM 0.0002121 0.45156 3.125
97 1F8G NAD 0.0001344 0.4494 3.125
98 4LWP SAH 0.0006354 0.44493 3.125
99 5KOK SAH 0.00084 0.43388 3.125
100 2QZZ NAP 0.0063 0.42606 3.125
101 2QZZ EMF 0.006634 0.42606 3.125
102 4D3F NAP 0.0007325 0.42194 3.125
103 1E5Q NDP 0.0001385 0.41505 3.125
104 1CDO NAD 0.0002554 0.41431 3.125
105 2EJU SAH 0.003532 0.41293 3.125
106 5THZ SAH 0.005315 0.41241 3.125
107 5E72 SAM 0.005189 0.4112 3.125
108 4YCA NDP 0.0004311 0.40996 3.125
109 1XDS SAM 0.007676 0.4092 3.125
110 3CH6 NAP 0.009021 0.43683 3.14685
111 3CH6 311 0.009021 0.43683 3.14685
112 4D42 NAP 0.01233 0.4231 3.19149
113 4D42 W0I 0.01233 0.4231 3.19149
114 2PXX SAH 0.0007685 0.43528 3.25581
115 2PD4 DCN 0.005369 0.42708 3.27273
116 2PD4 NAD 0.006273 0.42396 3.27273
117 5VKT NAP 0.0002077 0.4017 3.31492
118 2BZG SAH 0.004576 0.4081 3.44828
119 4BV6 FAD 0.00003208 0.53772 3.47222
120 2XVE FAD 0.0001123 0.52934 3.47222
121 5T67 JHZ 0.001982 0.45764 3.47222
122 1OMO NAD 0.00004256 0.45635 3.47222
123 5T67 SAH 0.001789 0.45474 3.47222
124 4DMG SAM 0.002157 0.43916 3.47222
125 2D2I NAP 0.0003179 0.43135 3.47222
126 1J49 NAD 0.00008414 0.41738 3.47222
127 2CVZ NDP 0.0002973 0.41343 3.47222
128 2Q0L NAP 0.00741 0.40611 3.47222
129 5CAE COA 0.001106 0.40048 3.47222
130 1Z6Z NAP 0.01123 0.40646 3.5461
131 4FC7 NAP 0.01559 0.41245 3.61011
132 4FC7 COA 0.01559 0.41245 3.61011
133 3G89 SAM 0.000165 0.48582 3.61446
134 1X87 NAD 0.0000007538 0.52583 3.62976
135 1KYQ NAD 0.000001968 0.55941 3.64964
136 3QV1 NAD 0.0002955 0.41925 3.65854
137 3DXY SAM 0.0007684 0.46024 3.66972
138 4YMH SAH 0.001368 0.41903 3.75
139 1QO8 FAD 0.00004672 0.5313 3.81944
140 3L9W GSH 0.00001318 0.44556 3.81944
141 3L9W AMP 0.00001295 0.43479 3.81944
142 4M38 SAH 0.001212 0.42138 3.81944
143 1YS4 NAP 0.003874 0.41676 3.81944
144 1WP4 NDP 0.0002295 0.41246 3.81944
145 1OBB NAD 0.0008325 0.40923 3.81944
146 4JK3 NAD 0.00002068 0.45222 3.861
147 4POO SAM 0.0038 0.42046 4
148 4GUT FAD 0.000006413 0.57699 4.03226
149 5BW4 SAM 0.00007381 0.47859 4.11985
150 1N4W FAD 0.00001987 0.55002 4.16667
151 4CNK FAD 0.00002001 0.54327 4.16667
152 1J0X NAD 0.0002108 0.50164 4.16667
153 3NDJ SAH 0.002151 0.45688 4.16667
154 3NDJ JHZ 0.002151 0.45688 4.16667
155 1MV8 NAD 0.00003246 0.44448 4.16667
156 1MUU NAD 0.0000724 0.43901 4.16667
157 2EG5 SAH 0.002263 0.4336 4.16667
158 2GCG NDP 0.00008609 0.4198 4.16667
159 3FG2 FAD 0.00001934 0.41927 4.16667
160 3V1Y NAD 0.0002461 0.41391 4.16667
161 4XQC NAD 0.0000008952 0.40946 4.16667
162 1KPG SAH 0.0004208 0.4346 4.18118
163 4IRP UDP 0.02589 0.40134 4.38247
164 2VDV SAM 0.003948 0.42249 4.47154
165 1PR9 NAP 0.0009095 0.46002 4.5082
166 3D3W NAP 0.001393 0.45156 4.5082
167 1V59 NAD 0.000001278 0.59087 4.51389
168 2VVM FAD 0.000008903 0.56246 4.51389
169 1PS9 FAD 0.00008487 0.5179 4.51389
170 4TM3 FAD 0.0003558 0.5102 4.51389
171 1PS9 NAP 0.000268 0.47491 4.51389
172 1PL6 572 0.001582 0.44772 4.51389
173 3IHG FAD 0.0000146 0.44652 4.51389
174 2AOT SAH 0.0009668 0.44584 4.51389
175 1PL6 NAD 0.0008505 0.44362 4.51389
176 1HYH NAD 0.00004435 0.41637 4.51389
177 2YGM GLA NAG GAL FUC 0.01198 0.41234 4.51389
178 2VHW NAI 0.00001277 0.40945 4.51389
179 5KMS FAD 0.00002577 0.40002 4.51389
180 2XVM SAH 0.002735 0.42982 4.52261
181 1KPH SAH 0.0006179 0.42837 4.52962
182 3OFK SAH 0.0001636 0.44768 4.62963
183 1Q0S SAH 0.003075 0.42452 4.6332
184 3OID NDP 0.002545 0.43959 4.65116
185 4ZA2 NAD 0.001652 0.44271 4.74308
186 1AE1 NAP 0.005246 0.42521 4.7619
187 1NYT NAP 0.0001126 0.43361 4.79705
188 1V8B NAD 0.00002753 0.534 4.86111
189 1YJQ NAP 0.0003118 0.48128 4.86111
190 3CMC NAD 0.002365 0.46813 4.86111
191 2YVJ NAI 0.0003284 0.45723 4.86111
192 4L8V NAP 0.001083 0.45242 4.86111
193 4XB2 HSE 0.001278 0.45195 4.86111
194 4XB2 NDP 0.0006701 0.45195 4.86111
195 3S5W NAP 0.002541 0.42701 4.86111
196 4O1M NAD 0.003989 0.42683 4.86111
197 4GKV NAD 0.00001072 0.42346 4.86111
198 3A27 SAM 0.00253 0.41916 4.86111
199 3S5W FAD 0.00005628 0.41801 4.86111
200 1D1T NAD 0.0001083 0.41031 4.86111
201 3NKS FAD 0.00001215 0.4078 4.86111
202 1VI2 NAD 0.002304 0.40311 4.86111
203 2RIF AMP 0.009853 0.4042 4.96454
204 1EJ0 SAM 0.0006303 0.44508 5
205 2E5V FAD 0.00003233 0.54005 5.20833
206 4Y2H SAH 0.003791 0.43844 5.20833
207 4TXI FAD 0.000007571 0.43761 5.20833
208 5X20 NAD 0.00185 0.43591 5.20833
209 4Y2H 49K 0.004451 0.43518 5.20833
210 4Q9N NAI 0.002793 0.43517 5.20833
211 2BRY FAD 0.000007995 0.43141 5.20833
212 1EZ4 NAD 0.0002836 0.41339 5.20833
213 3GFB NAD 0.0001768 0.41329 5.20833
214 1EU1 MGD 0.0123 0.41253 5.20833
215 4RQU NAD 0.0001469 0.41013 5.20833
216 1L1E SAH 0.0001609 0.45672 5.22648
217 2G5C NAD 0.0000361 0.42568 5.33808
218 3GDH SAH 0.0003103 0.42725 5.39419
219 5BSH PRO 0.005134 0.42442 5.41516
220 3H2B SAH 0.0008147 0.43348 5.41872
221 3I53 SAH 0.004479 0.41225 5.42169
222 1E6E FAD 0.00001424 0.54721 5.46875
223 3ICT ADP 0.000007065 0.55597 5.55556
224 3ICS FAD 0.0000578 0.52186 5.55556
225 1X14 NAD 0.00003542 0.50436 5.55556
226 3ICS ADP 0.000008542 0.49258 5.55556
227 3QOX SAH 0.001834 0.43274 5.55556
228 4G74 FAD 0.00000512 0.42019 5.55556
229 4KRI SAH 0.001985 0.41217 5.55556
230 2HJR APR 0.0009366 0.41139 5.55556
231 5EOW FAD 0.00002699 0.40689 5.55556
232 3Q9N COA 0.00334 0.42605 5.67376
233 2DT5 NAD 0.0000233 0.43785 5.6872
234 1NFQ NAI 0.01382 0.40475 5.76923
235 2HK9 ATR 0.00003357 0.53116 5.81818
236 2HK9 NAP 0.00009387 0.42921 5.81818
237 5OFW 9TW 0.002174 0.45636 5.8296
238 2HNK SAH 0.001863 0.41279 5.85774
239 3NJ4 NAD 0.0002475 0.54004 5.90278
240 3NJ4 AFX 0.0005538 0.5218 5.90278
241 4TQG NDP 0.001458 0.44514 5.90278
242 1XTP SAI 0.000734 0.44224 5.90278
243 1LLU NAD 0.00001396 0.41974 5.90278
244 4USR FAD 0.00002638 0.41697 5.90278
245 1CER NAD 0.0003123 0.41303 5.90278
246 3GD4 NAD 0.001283 0.40555 5.90278
247 3LCC SAH 0.001076 0.43068 5.95745
248 2CUL FAD 0.00003196 0.40436 6.03448
249 4RL4 PPV 0.003988 0.43423 6.13208
250 1IM8 SAI 0.003811 0.4011 6.14754
251 5O4J SAH 0.0004946 0.47347 6.20438
252 5O4J 9KH 0.0004946 0.47347 6.20438
253 5O4J PJL 0.000578 0.46902 6.20438
254 4MIG G3F 0.00002799 0.54881 6.25
255 5BUK FAD 0.00003514 0.53954 6.25
256 2F5Z FAD 0.00003569 0.53803 6.25
257 4UP3 FAD 0.00005511 0.52544 6.25
258 5DNK SAH 0.000183 0.43704 6.25
259 1ZMD NAI 0.0001132 0.43625 6.25
260 4E5N NAD 0.00001867 0.42591 6.25
261 1L3I SAH 0.0004063 0.41768 6.25
262 1NW5 SAM 0.006736 0.40274 6.25
263 3EGI ADP 0.001053 0.47062 6.31068
264 3KU0 ADE 0.01908 0.40826 6.3745
265 2YY7 NAD 0.002504 0.43733 6.41026
266 2AG5 NAD 0.01212 0.40496 6.50407
267 1QAN SAH 0.0002696 0.43957 6.55738
268 4C3Y FAD 0.0001447 0.50703 6.59722
269 1BXG NAD 0.00005359 0.50607 6.59722
270 4C3Y ANB 0.0002506 0.50129 6.59722
271 2CDC XYP 0.0008948 0.48826 6.59722
272 1BW9 NAD 0.00001925 0.48052 6.59722
273 1LDN NAD 0.0003611 0.47548 6.59722
274 2CDC NAP 0.001665 0.47496 6.59722
275 2CDC XYS 0.001665 0.47496 6.59722
276 3GRU AMP 0.00003549 0.46462 6.59722
277 1C1X NAD 0.00006818 0.43128 6.59722
278 2RGJ FAD 0.00001075 0.42694 6.59722
279 3G2O SAM 0.005933 0.40324 6.59722
280 3AB1 FAD 0.000005742 0.40281 6.59722
281 1Q1R FAD 0.00002599 0.40061 6.59722
282 5N53 8NB 0.000751 0.48118 6.66667
283 3WLE NAD 0.00003766 0.40049 6.74487
284 2F1K NAP 0.00004425 0.43856 6.81004
285 3GDN HBX 0.0001716 0.51314 6.94444
286 3GDN FAD 0.0001136 0.51314 6.94444
287 5UAO FAD 0.001072 0.4629 6.94444
288 4USQ FAD 0.004053 0.46029 6.94444
289 3C6K MTA 0.001262 0.45728 6.94444
290 3C6K SPD 0.001262 0.45728 6.94444
291 1XSE NDP 0.002395 0.44881 6.94444
292 2WSB NAD 0.003614 0.44044 6.94444
293 1WDK NAD 0.000261 0.43199 6.94444
294 2H04 4UN 0.006292 0.40564 6.94444
295 4K28 NAD 0.000006449 0.47444 7.0632
296 3KLJ FAD 0.0000008204 0.46045 7.27273
297 3QVP FAD 0.00001222 0.55998 7.29167
298 5AYV NAP 0.0003665 0.46347 7.29167
299 2JJQ SAH 0.000579 0.46079 7.29167
300 5AYV KPL 0.001648 0.45073 7.29167
301 5KJW 53C 0.01818 0.4123 7.29167
302 5LOG SAH 0.000868 0.43224 7.29614
303 3A25 SAM 0.005713 0.40395 7.30897
304 2F7A CCU 0.005906 0.43256 7.32759
305 1JNR FAD 0.0001095 0.53923 7.33333
306 2CDU FAD 0.00001452 0.54682 7.63889
307 5FJN FAD 0.00007097 0.52276 7.63889
308 5FJN BE2 0.00008402 0.52276 7.63889
309 2CDU ADP 0.000006654 0.52248 7.63889
310 5LD5 NAD 0.000219 0.43454 7.63889
311 2V3V MGD 0.02008 0.42494 7.63889
312 1R18 SAH 0.002648 0.42399 7.92952
313 2PZM UDP 0.001333 0.46384 7.98611
314 2PZM NAD 0.001333 0.46384 7.98611
315 5DX0 SFG 0.001649 0.43814 7.98611
316 5DWQ SFG 0.001841 0.43437 7.98611
317 3LXD FAD 0.000006814 0.4244 7.98611
318 3A06 NDP 0.006022 0.42364 7.98611
319 3A06 FOM 0.006735 0.42364 7.98611
320 1UPR 4IP 0.02207 0.40559 8.13008
321 2XYQ SAH 0.00146 0.42942 8.19672
322 3X0D SAH 0.000276 0.46271 8.33333
323 1S7G NAD 0.009988 0.41001 8.33333
324 3AD8 NAD 0.00001031 0.42256 8.41584
325 2NAD NAD 0.0004051 0.47878 8.68056
326 4J1Q NDP 0.007536 0.41165 8.68056
327 4NEC SAH 0.009494 0.40494 8.71212
328 3BGD SAH 0.001532 0.40728 8.84615
329 5KVA SAM 0.000104 0.48542 8.99281
330 1G55 SAH 0.0004697 0.44342 9.02778
331 2V3B FAD 0.00001572 0.40362 9.09091
332 1D4D FAD 0.00006108 0.52702 9.375
333 4KIB SAH 0.001103 0.43002 9.375
334 5TUK FAD 0.0003902 0.40582 9.375
335 5UAV TFB 0.0002621 0.48881 9.93789
336 5UAV NDP 0.0002621 0.48881 9.93789
337 2QES ADE 0.02177 0.4069 9.96169
338 5T9E NAP 0.00065 0.45775 9.9631
339 3CIF NAD 0.0001648 0.48773 10.0694
340 3CIF G3H 0.0004588 0.47629 10.0694
341 3Q9T FAY 0.0005797 0.47412 10.0694
342 5HVJ ANP 0.02263 0.40595 10.1587
343 1ZQ9 SAM 0.00004956 0.49248 10.4167
344 1F3L SAH 0.00219 0.40566 10.4167
345 3KRR DQX 0.04506 0.40165 10.4167
346 1TPY SAH 0.0003813 0.43527 10.453
347 2NXE SAM 0.003834 0.4114 11.0236
348 3EGV SAH 0.00578 0.40726 11.0236
349 3EF0 ALF 0.002357 0.4551 11.1111
350 2OOR NAD 0.0001581 0.44689 11.1111
351 3JV7 NAD 0.000009893 0.44325 11.1111
352 1L7E NAI 0.0002352 0.42597 11.1111
353 2GAG NAD 0.00001449 0.40601 11.4583
354 1P1C SAH 0.000005631 0.54311 11.5578
355 3DUW SAH 0.002814 0.41915 11.6592
356 1PJS NAD 0.0002306 0.45838 11.8056
357 5KVS NAP 0.0009269 0.40625 11.8056
358 4QTU SAM 0.0006216 0.43841 11.8519
359 5M67 3D1 0.00003398 0.54478 12.1528
360 5M67 ADE 0.00003972 0.54154 12.1528
361 5M67 NAD 0.00004075 0.54101 12.1528
362 5MQ6 NDP 0.0005121 0.4234 12.1528
363 4J56 FAD 0.0006913 0.47833 12.2807
364 5E1M SAH 0.001012 0.42416 12.4481
365 2HQM FAD 0.0001787 0.50389 12.5
366 2DKH FAD 0.04617 0.40613 12.5
367 2Y6Q I7T 0.0000651 0.52913 12.8472
368 2Y6Q FAD 0.00002577 0.52913 12.8472
369 3G5S FAD 0.000001616 0.4255 12.8472
370 5VN0 NAI 0.0001569 0.42294 12.8472
371 5D4V SAH 0.0002186 0.44161 13.0597
372 2PV7 NAD 0.0003459 0.40334 13.5417
373 1IY8 NAD 0.001489 0.44757 13.8577
374 3GGO NAI 0.0004999 0.48177 14.2361
375 3GGO ENO 0.0004999 0.48177 14.2361
376 1DJN ADP 0.00009992 0.4481 15.2778
377 1O94 ADP 0.00008818 0.43721 15.2778
378 3OJO NAD 0.00002197 0.47118 15.625
379 5L95 AMP 0.00000002152 0.62135 15.7706
380 3WV8 ATP 0.0000000482 0.60756 16.055
381 3H5N ATP 0.000000006023 0.43424 17.0139
382 2VYN NAD 0.0001469 0.41103 17.3611
383 1ELI PYC 0.00002273 0.5407 17.7083
384 1LSS NAD 0.000008509 0.50703 20
385 5THQ NDP 0.005786 0.41951 20.5882
386 4J36 FAD 0.00001545 0.54089 21.5278
387 4J36 1HR 0.00003311 0.53956 21.5278
388 3C3Y SAH 0.001606 0.42968 22.7848
389 1Y8Q ATP 0.000000000002883 0.71107 24.6528
390 3H8V ATP 0.000000006023 0.6605 24.6528
391 4II2 ATP 0.00000000001717 0.73142 28.8194
392 3NTD FAD 0.00046 0.47999 34.7222
Pocket No.: 2; Query (leader) PDB : 4RDI; Ligand: ATP; 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: 4rdi.bio2) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4RDI; Ligand: ATP; 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: 4rdi.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4RDI; Ligand: ATP; Similar sites found: 9
This union binding pocket(no: 4) in the query (biounit: 4rdi.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5H41 IFM 0.02237 0.40302 1.73611
2 3U31 NAD 0.00262 0.40234 1.73611
3 4NTD FAD 0.04525 0.41143 2.08333
4 3GEG NAD 0.03297 0.40779 3.23887
5 3HQP OXL 0.02379 0.40216 3.47222
6 2QQF A1R 0.00551 0.41485 5.51948
7 3VC1 SAH 0.00272 0.40162 7.05128
8 1FL2 FAD 0.00001293 0.40025 8.33333
9 1XCL SAH 0.0001324 0.40125 9.78723
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