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Receptor
PDB id Resolution Class Description Source Keywords
1KP3 2 Å EC: 6.3.4.5 CRYSTAL STRUCTURE OF E. COLI ARGININOSUCCINATE SYNTHETASE IN WITH ATP AND CITRULLINE ESCHERICHIA COLI N-TYPE ATP PYROPHOSPHATASE LIGASE
Ref.: SUBSTRATE INDUCED CONFORMATIONAL CHANGES IN ARGININOSUCCINATE SYNTHETASE J.BIOL.CHEM. V. 277 13074 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ATP A:457;
Valid;
none;
submit data
507.181 C10 H16 N5 O13 P3 c1nc(...
CIR A:458;
A:459;
Valid;
Valid;
none;
none;
submit data
175.186 C6 H13 N3 O3 C(C[C...
GAI A:460;
A:461;
Invalid;
Invalid;
none;
none;
submit data
59.07 C H5 N3 C(=N)...
PO4 A:456;
Invalid;
none;
submit data
94.971 O4 P [O-]P...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1K97 2 Å EC: 6.3.4.5 CRYSTAL STRUCTURE OF E. COLI ARGININOSUCCINATE SYNTHETASE IN WITH ASPARTATE AND CITRULLINE ESCHERICHIA COLI N-TYPE ATP PYROPHOSPHATASE LIGASE
Ref.: THE 1.6 A CRYSTAL STRUCTURE OF E. COLI ARGININOSUCC SYNTHETASE SUGGESTS A CONFORMATIONAL CHANGE DURING CATALYSIS. STRUCTURE V. 9 1153 2001
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1K97 - CIR C6 H13 N3 O3 C(C[C@@H](....
2 1KP2 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
3 1KP3 - CIR C6 H13 N3 O3 C(C[C@@H](....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1K97 - CIR C6 H13 N3 O3 C(C[C@@H](....
2 1KP2 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
3 1KP3 - CIR C6 H13 N3 O3 C(C[C@@H](....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1K97 - CIR C6 H13 N3 O3 C(C[C@@H](....
2 1KP2 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
3 1KP3 - CIR C6 H13 N3 O3 C(C[C@@H](....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ATP; Similar ligands found: 422
No: Ligand ECFP6 Tc MDL keys Tc
1 HEJ 1 1
2 ATP 1 1
3 5FA 0.985507 1
4 AQP 0.985507 1
5 AP5 0.927536 0.971831
6 B4P 0.927536 0.971831
7 BA3 0.913043 0.971831
8 ADP 0.9 1
9 A2D 0.884058 0.971831
10 AGS 0.84 0.945946
11 SAP 0.84 0.945946
12 6YZ 0.833333 0.972222
13 AT4 0.810811 0.958904
14 AN2 0.810811 0.985915
15 25L 0.809524 0.985915
16 AR6 0.802632 0.971831
17 APR 0.802632 0.971831
18 M33 0.8 0.958333
19 ACQ 0.794872 0.972222
20 TAT 0.794872 0.958904
21 T99 0.794872 0.958904
22 AD9 0.792208 0.972222
23 ACP 0.789474 0.972222
24 AMP 0.788732 0.971429
25 A 0.788732 0.971429
26 ANP 0.772152 0.972222
27 CA0 0.753247 0.945205
28 ADX 0.753247 0.873418
29 A22 0.746988 0.985915
30 50T 0.74359 0.958333
31 PRX 0.734177 0.893333
32 APC 0.734177 0.958904
33 ABM 0.733333 0.917808
34 ATF 0.731707 0.958904
35 ITT 0.730769 0.943662
36 7D4 0.730769 0.905405
37 ADQ 0.729412 0.945205
38 A3R 0.729412 0.907895
39 AP2 0.714286 0.958904
40 A12 0.714286 0.958904
41 A1R 0.709302 0.907895
42 SRA 0.706667 0.918919
43 5AL 0.698795 0.931507
44 HFD 0.695122 0.945946
45 9X8 0.693182 0.92
46 OAD 0.693182 0.945205
47 AU1 0.6875 0.972222
48 SRP 0.682353 0.906667
49 G5P 0.680851 0.921053
50 25A 0.678161 0.971831
51 3OD 0.677778 0.945205
52 4AD 0.670455 0.92
53 G3A 0.670213 0.921053
54 00A 0.662921 0.883117
55 RBY 0.662651 0.932432
56 ADP PO3 0.662651 0.943662
57 ADV 0.662651 0.932432
58 BIS 0.659341 0.933333
59 8QN 0.659091 0.931507
60 5SV 0.659091 0.848101
61 OOB 0.659091 0.931507
62 GTA 0.65625 0.886076
63 UP5 0.653061 0.92
64 AMO 0.651685 0.932432
65 PAJ 0.651685 0.884615
66 2A5 0.650602 0.918919
67 MAP 0.647727 0.945946
68 3AT 0.647059 0.971831
69 AHX 0.644444 0.896104
70 DLL 0.644444 0.931507
71 ATR 0.642857 0.971429
72 PAP 0.642857 0.985714
73 PTJ 0.641304 0.896104
74 7D3 0.6375 0.905405
75 3UK 0.637363 0.918919
76 SON 0.634146 0.932432
77 A4P 0.633663 0.843373
78 ALF ADP 0.632184 0.87013
79 ADP ALF 0.632184 0.87013
80 PR8 0.630435 0.85
81 WAQ 0.630435 0.883117
82 LAD 0.630435 0.860759
83 B5V 0.630435 0.906667
84 AFH 0.628866 0.884615
85 LMS 0.628205 0.82716
86 GAP 0.627907 0.893333
87 DTP 0.627907 0.905405
88 VO4 ADP 0.625 0.931507
89 ADP VO4 0.625 0.931507
90 TXA 0.623656 0.932432
91 ME8 0.623656 0.839506
92 1ZZ 0.623656 0.839506
93 NB8 0.623656 0.896104
94 FYA 0.623656 0.905405
95 DQV 0.622449 0.958333
96 T5A 0.621359 0.841463
97 ADN 0.619718 0.84507
98 RAB 0.619718 0.84507
99 XYA 0.619718 0.84507
100 DAL AMP 0.611111 0.905405
101 9SN 0.610526 0.871795
102 48N 0.61 0.896104
103 AP0 0.607843 0.896104
104 9ZD 0.604396 0.907895
105 9ZA 0.604396 0.907895
106 FA5 0.604167 0.906667
107 B5M 0.604167 0.894737
108 YAP 0.604167 0.894737
109 B5Y 0.604167 0.894737
110 NAI 0.60396 0.907895
111 6V0 0.60396 0.896104
112 TXD 0.60396 0.907895
113 DND 0.60396 0.932432
114 NXX 0.60396 0.932432
115 NAX 0.60396 0.873418
116 ADP BMA 0.602151 0.918919
117 A2R 0.6 0.985915
118 OMR 0.598039 0.851852
119 TXE 0.598039 0.907895
120 XAH 0.597938 0.839506
121 7DT 0.593023 0.985714
122 AOC 0.592593 0.821918
123 4UV 0.591837 0.894737
124 DDS 0.590909 0.878378
125 139 0.590476 0.873418
126 CNA 0.584906 0.932432
127 6AD 0.58427 0.909091
128 5AS 0.583333 0.77907
129 5N5 0.581081 0.819444
130 GA7 0.58 0.906667
131 4UU 0.58 0.894737
132 4TC 0.576923 0.896104
133 ADJ 0.575472 0.851852
134 5CD 0.573333 0.805556
135 A4D 0.573333 0.819444
136 RGT 0.571429 0.958904
137 A3P 0.571429 0.971429
138 7D5 0.56962 0.878378
139 LAQ 0.568627 0.839506
140 F2R 0.564815 0.864198
141 80F 0.563636 0.841463
142 YLP 0.563107 0.819277
143 A A 0.5625 0.944444
144 UPA 0.561905 0.907895
145 AV2 0.56044 0.917808
146 COD 0.559633 0.811765
147 4UW 0.557692 0.860759
148 JB6 0.556701 0.883117
149 3AM 0.555556 0.929577
150 ATP A A A 0.555556 0.930556
151 A2P 0.552941 0.957143
152 TYM 0.552381 0.906667
153 NA7 0.552083 0.958904
154 EP4 0.551282 0.753247
155 MYR AMP 0.55102 0.817073
156 PPS 0.549451 0.873418
157 YLC 0.54717 0.839506
158 YLB 0.54717 0.819277
159 NAD 0.545455 0.931507
160 DAT 0.545455 0.905405
161 TYR AMP 0.544554 0.87013
162 G5A 0.544444 0.77907
163 M2T 0.544304 0.734177
164 DTA 0.544304 0.786667
165 3DH 0.54321 0.773333
166 128 0.542857 0.776471
167 AHZ 0.538462 0.817073
168 GTP 0.537634 0.92
169 SSA 0.537634 0.8
170 MTA 0.5375 0.773333
171 IOT 0.537037 0.831325
172 A3D 0.535714 0.918919
173 ARG AMP 0.533981 0.829268
174 7MD 0.533981 0.8625
175 AR6 AR6 0.533981 0.917808
176 YLA 0.53211 0.819277
177 AMP DBH 0.529412 0.893333
178 IMO 0.529412 0.929577
179 TAD 0.528846 0.884615
180 AYB 0.527273 0.809524
181 A5A 0.526882 0.807229
182 HDV 0.526882 0.893333
183 TSB 0.526316 0.819277
184 EAD 0.525424 0.873418
185 2AM 0.52439 0.943662
186 6RE 0.52381 0.759494
187 7DD 0.522727 0.985714
188 V3L 0.521739 0.971831
189 AVV 0.520833 0.896104
190 BTX 0.517857 0.841463
191 NAE 0.517241 0.894737
192 52H 0.515789 0.77907
193 54H 0.515789 0.788235
194 VMS 0.515789 0.788235
195 NSS 0.515464 0.8
196 BT5 0.513274 0.831325
197 NAQ 0.512821 0.871795
198 ZAS 0.511905 0.766234
199 J7C 0.511628 0.769231
200 A3N 0.511628 0.786667
201 5X8 0.511111 0.763158
202 53H 0.510417 0.77907
203 8X1 0.510417 0.752809
204 5CA 0.510417 0.8
205 NVA LMS 0.510204 0.752809
206 ARU 0.510204 0.860759
207 AF3 ADP 3PG 0.509259 0.8375
208 ZID 0.508475 0.918919
209 P1H 0.508197 0.851852
210 OVE 0.505882 0.905405
211 S4M 0.505747 0.666667
212 LEU LMS 0.50505 0.752809
213 LPA AMP 0.504673 0.817073
214 7MC 0.504587 0.841463
215 DZD 0.5 0.884615
216 FB0 0.5 0.804598
217 MAO 0.5 0.759036
218 DSZ 0.5 0.8
219 LSS 0.5 0.761364
220 DSH 0.5 0.725
221 P5A 0.5 0.744444
222 NDE 0.495935 0.932432
223 N0B 0.495798 0.819277
224 M24 0.495726 0.85
225 YLY 0.495726 0.809524
226 NJP 0.495575 0.945946
227 9K8 0.49505 0.714286
228 MGP 0.494737 0.884615
229 6C6 0.494624 0.881579
230 NAJ PZO 0.491379 0.848101
231 0WD 0.491228 0.921053
232 6G0 0.489583 0.884615
233 GJV 0.488636 0.75
234 6FA 0.488189 0.841463
235 5AD 0.486842 0.746479
236 KAA 0.485149 0.752809
237 GSU 0.485149 0.77907
238 71V 0.483146 0.907895
239 NEC 0.482759 0.746667
240 A3G 0.482759 0.8
241 ODP 0.482456 0.909091
242 FAS 0.48062 0.851852
243 FAD 0.48062 0.851852
244 7D7 0.480519 0.743243
245 FDA 0.480315 0.833333
246 N6P 0.48 0.915493
247 2SA 0.479167 0.932432
248 GP3 0.478723 0.921053
249 4TA 0.478261 0.807229
250 SFG 0.478261 0.75
251 G A A A 0.478261 0.871795
252 AMP NAD 0.478261 0.905405
253 NPW 0.477876 0.886076
254 NDP 0.477876 0.921053
255 NDC 0.47619 0.871795
256 YSA 0.47619 0.77907
257 NAJ PYZ 0.475 0.807229
258 MGO 0.474227 0.860759
259 GDP 0.473684 0.92
260 NZQ 0.473684 0.909091
261 TXP 0.473684 0.921053
262 6IA 0.473684 0.8375
263 A7D 0.472527 0.776316
264 SFD 0.469231 0.734043
265 A5D 0.468085 0.786667
266 SA8 0.468085 0.707317
267 ZDA 0.468085 0.864865
268 12D 0.46789 0.785714
269 PGS 0.467391 0.883117
270 MHZ 0.467391 0.697674
271 8PZ 0.466667 0.8
272 62F 0.466165 0.8625
273 DA 0.465909 0.878378
274 D5M 0.465909 0.878378
275 GGZ 0.464646 0.825
276 SAH 0.463158 0.74359
277 SAI 0.463158 0.734177
278 FAY 0.462687 0.8625
279 Y3J 0.4625 0.726027
280 PO4 PO4 A A A A PO4 0.460784 0.902778
281 AAM 0.460674 0.971429
282 RFL 0.459259 0.821429
283 SMM 0.459184 0.686047
284 HF7 0.459184 0.893333
285 AMZ 0.458824 0.916667
286 C2R 0.458824 0.90411
287 SAM 0.458333 0.690476
288 A3S 0.456522 0.810811
289 FNK 0.455224 0.804598
290 U A 0.453782 0.907895
291 7C5 0.453704 0.818182
292 EEM 0.453608 0.690476
293 AAT 0.453608 0.707317
294 XNP 0.452991 0.873418
295 A G 0.452991 0.883117
296 PRT 0.45283 0.931507
297 AIR 0.451219 0.901408
298 62X 0.45098 0.666667
299 DCA 0.45 0.823529
300 ETB 0.45 0.833333
301 GSP 0.45 0.873418
302 U A G G 0.449153 0.883117
303 NIA 0.448276 0.822785
304 A3T 0.446809 0.821918
305 A A A 0.446602 0.905405
306 K15 0.446602 0.682353
307 PUA 0.446281 0.884615
308 6K6 0.445545 0.930556
309 GEK 0.445545 0.7375
310 4YB 0.445455 0.761364
311 S7M 0.444444 0.690476
312 Z5A 0.443548 0.77907
313 1DG 0.443548 0.921053
314 DG1 0.443548 0.921053
315 0T1 0.442623 0.823529
316 COA 0.442623 0.823529
317 WSA 0.442478 0.788235
318 8BR 0.43956 0.906667
319 8Q2 0.438596 0.772727
320 101 0.438202 0.878378
321 IDP 0.4375 0.918919
322 NVA 2AD 0.4375 0.759494
323 9JJ 0.435714 0.8625
324 NAP 0.435484 0.945205
325 APU 0.434783 0.894737
326 A U 0.434783 0.87013
327 7RP 0.433333 0.928571
328 A6D 0.432692 0.722892
329 AMX 0.432 0.833333
330 J7V 0.432 0.833333
331 TAP 0.432 0.907895
332 COS 0.432 0.804598
333 CAO 0.432 0.795455
334 30N 0.432 0.752688
335 V1N 0.431193 0.917808
336 649 0.429825 0.744444
337 P5F 0.429577 0.823529
338 NA0 0.428571 0.932432
339 SCO 0.428571 0.823529
340 CMX 0.428571 0.823529
341 7RA 0.428571 0.957747
342 0UM 0.427184 0.698795
343 GAV 0.427184 0.884615
344 QQY 0.426966 0.815789
345 1RB 0.426966 0.885714
346 ACK 0.426966 0.861111
347 G1R 0.425743 0.907895
348 GCP 0.425743 0.896104
349 FAM 0.425197 0.804598
350 FCX 0.425197 0.795455
351 ACO 0.425197 0.795455
352 GNH 0.424242 0.907895
353 F2N 0.423611 0.813953
354 GKE 0.422018 0.884615
355 GDD 0.422018 0.884615
356 GDC 0.422018 0.884615
357 HAX 0.421875 0.804598
358 3AD 0.421687 0.805556
359 9GM 0.421569 0.896104
360 GNP 0.421569 0.896104
361 FA9 0.42069 0.864198
362 TM1 0.420561 0.77381
363 KB1 0.420561 0.698795
364 H6Y 0.42 0.945205
365 2MC 0.419847 0.769231
366 3KK 0.418605 0.804598
367 FYN 0.418605 0.823529
368 S8M 0.417476 0.759494
369 7L1 0.417323 0.795455
370 2VA 0.416667 0.8
371 26A 0.416667 0.763158
372 NHD 0.416667 0.905405
373 QQX 0.41573 0.805195
374 CA6 0.415385 0.729167
375 OXK 0.415385 0.804598
376 COK 0.415385 0.804598
377 SOP 0.415385 0.804598
378 MCD 0.415385 0.804598
379 YE1 0.413534 0.813953
380 RMB 0.413043 0.873239
381 FAI 0.413043 0.916667
382 AS 0.413043 0.833333
383 CO6 0.412214 0.804598
384 1VU 0.412214 0.795455
385 CMC 0.412214 0.804598
386 NMX 0.412214 0.76087
387 SXZ 0.411215 0.710843
388 ANZ 0.410714 0.8
389 SCA 0.410448 0.804598
390 CAJ 0.409091 0.804598
391 SCD 0.409091 0.823529
392 EO7 0.408602 0.788235
393 D3Y 0.407767 0.789474
394 CC5 0.407407 0.816901
395 KH3 0.40708 0.674419
396 A C A C 0.406504 0.848101
397 SLU 0.406504 0.770115
398 G 0.40625 0.906667
399 5GP 0.40625 0.906667
400 A1S 0.406015 0.804598
401 IVC 0.406015 0.813953
402 MLC 0.406015 0.804598
403 3HC 0.406015 0.813953
404 1HE 0.406015 0.786517
405 BCO 0.406015 0.804598
406 GTG 0.405405 0.886076
407 NMN AMP PO4 0.404959 0.87013
408 3D1 0.404762 0.773333
409 3L1 0.404762 0.773333
410 2BA 0.404255 0.915493
411 CMP 0.404255 0.901408
412 VRT 0.40404 0.769231
413 SO8 0.40404 0.789474
414 MCA 0.402985 0.795455
415 COO 0.402985 0.804598
416 CAA 0.402985 0.813953
417 3NZ 0.401869 0.782051
418 G2R 0.401869 0.884615
419 ZZB 0.4 0.77381
420 2FA 0.4 0.813333
421 MC4 0.4 0.76087
422 2CP 0.4 0.795455
Ligand no: 2; Ligand: CIR; Similar ligands found: 51
No: Ligand ECFP6 Tc MDL keys Tc
1 CIR 1 1
2 ARG 0.735294 0.763158
3 DAR 0.735294 0.763158
4 ILO 0.631579 0.675
5 HAR 0.6 0.681818
6 NMM 0.6 0.725
7 4JK 0.6 0.725
8 VUR 0.6 0.7
9 ONH 0.6 0.619048
10 WT2 0.585366 0.783784
11 3AR 0.571429 0.690476
12 DA2 0.571429 0.617021
13 PAO 0.571429 0.615385
14 2MR 0.55814 0.707317
15 VIO 0.55814 0.627907
16 3KJ 0.55814 0.6
17 2YH 0.55814 0.810811
18 1KJ 0.545455 0.652174
19 JM2 0.545455 0.636364
20 AAR 0.540541 0.675
21 RPI 0.533333 0.627451
22 2YJ 0.533333 0.769231
23 API 0.53125 0.685714
24 LN6 0.521739 0.627907
25 HRG 0.512195 0.763158
26 ALY 0.512195 0.74359
27 JM7 0.510638 0.636364
28 JM8 0.510204 0.622222
29 2KJ 0.5 0.638298
30 AS1 0.5 0.738095
31 D20 0.5 0.652174
32 OLN 0.488372 0.894737
33 ORN 0.485714 0.735294
34 JM4 0.48 0.608696
35 JM6 0.48 0.608696
36 MLZ 0.475 0.634146
37 JM5 0.470588 0.622222
38 DLY 0.459459 0.714286
39 UN1 0.459459 0.638889
40 11C 0.459459 0.638889
41 DHH 0.447368 0.621622
42 LYS 0.447368 0.694444
43 0TF 0.4375 0.769231
44 NPI 0.435897 0.621622
45 2YG 0.428571 0.769231
46 LBY 0.428571 0.688889
47 6CL 0.425 0.666667
48 5CT 0.416667 0.658537
49 HSE 0.411765 0.605263
50 DAB 0.411765 0.666667
51 HCS 0.4 0.611111
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1K97; Ligand: ASP; Similar sites found with APoc: 156
This union binding pocket(no: 1) in the query (biounit: 1k97.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
1 1C4Q GLA GAL BGC None
2 5H9Q TD2 1.29032
3 1RZM PEP 1.47929
4 2PHW MAN MAN 1.5873
5 1Q8P MAN MMA 1.5873
6 2PHR MAN MAN 1.5873
7 2GND MAN MMA 1.5873
8 2PNC CLU 1.60858
9 5D9G GLU ASN LEU TYR PHE GLN 1.62602
10 5Z9S BGC 1.75824
11 1RYD GLC 1.80879
12 4KBA 1QM 1.81269
13 5LNW HG3 1.89873
14 1VCO GLN 1.97802
15 3HYW DCQ 2.09302
16 1VRP ADP 2.09974
17 4NOS ITU 2.10773
18 5OCG 9R5 2.1164
19 4GC1 MAN MAN 2.17391
20 1S5O 152 2.1978
21 5IFK HPA 2.24359
22 3G5S GSH 2.25734
23 4C1K PEP 2.29008
24 1ELI PYC 2.31362
25 1Q19 APC 2.41758
26 1MJH ATP 2.46914
27 1WMA AB3 2.53623
28 5A7Y SAH 2.5641
29 1VMK GUN 2.63736
30 5A2Z GTP 2.63736
31 1P3D ANP 2.63736
32 1GVF PGH 2.7972
33 2Z3U CRR 2.82353
34 3SHZ 5CO 2.88184
35 4NTO 1PW 2.89855
36 3BBH SFG 2.92683
37 1KQP ADJ 2.95203
38 5N0O SAM 3.01508
39 2GWH PCI 3.02013
40 5LNE A2G GAL 3.04878
41 3CBC DBS 3.07692
42 1O0S NAI 3.07692
43 2PZ8 APC 3.16901
44 3QPB URA 3.19149
45 1PDZ PGA 3.22581
46 3KLL MAL 3.2967
47 6MJF SAH 3.36788
48 3ZUY TCH 3.40557
49 1SDW IYT 3.50318
50 5KJW 53C 3.51288
51 3JQ3 ADP 3.55191
52 4IEN GDP 3.68098
53 1XNG ATP 3.73134
54 2YKL NLD 3.73626
55 3SAO DBH 3.75
56 3AIA SAM 3.79147
57 5OF1 SAL 3.80952
58 5XQW 8EU 4.14747
59 2C5S AMP 4.35835
60 5O0X FAD 4.46735
61 1A78 TDG 4.47761
62 2YY8 MTA 4.47761
63 1KJ1 MAN 4.58716
64 3JU6 ANP 4.59459
65 1GQY ACP 4.61538
66 3N8K D1X 4.65116
67 3ESS 18N 4.78261
68 5D3X 4IP 4.79042
69 4K55 H6P 4.83871
70 5EHS 5OY 4.85075
71 5EHS 2JJ 4.85075
72 4YRI 4JH 5.05494
73 4RYV ZEA 5.16129
74 5NM7 GLY 5.26316
75 5YSI NCA 5.26316
76 4RF7 ARG 5.27473
77 4JAL SAH 5.38922
78 5CKS GAL 5.41311
79 6EK3 OUL 5.42986
80 1F9V ADP 5.4755
81 5JH2 A2P 5.48387
82 2CHT TSA 5.51181
83 2WSI FAD 5.55556
84 3M3E GAL A2G NPO 5.59006
85 1QKQ MAN 5.6338
86 4Y24 TD2 5.84416
87 5H67 ATP 5.85106
88 1ID0 ANP 5.92105
89 6EMU SAM 6.09137
90 3HGM ATP 6.12245
91 5HWV MBN 6.15385
92 5TWJ SAM 6.17284
93 1LNX URI 6.17284
94 3B9Z CO2 6.18557
95 6B2M COA 6.29371
96 3THR C2F 6.48464
97 3G6K FAD 6.49351
98 3G6K POP 6.49351
99 4WOE ADP 6.59341
100 5NLM IOS 6.81319
101 4TVD BGC 6.81319
102 3FIU AMP 6.82731
103 3FIU POP 6.82731
104 2QS8 MET 6.9378
105 1M2Z BOG 7.00389
106 5DYO FLU 7.07547
107 6BGC BGC 7.23514
108 2R5V HHH 7.28291
109 4Q0A 4OA 7.28477
110 4V2O CLQ 7.31707
111 3KDM TES 7.33945
112 2G30 ALA ALA PHE 7.36434
113 2E5Y ATP 7.5188
114 4MOB ADP 7.53012
115 1GT4 UNA 7.54717
116 5J75 6GQ 7.57576
117 1T57 FMN 7.76699
118 1JGT CMA 7.91209
119 1JGT APC 7.91209
120 1VCE SAH 7.92453
121 1CT9 AMP 7.9566
122 5C1M CLR 8.10811
123 2Z5Y HRM 8.13187
124 3ALN ANP 8.25688
125 1O94 AMP 8.33333
126 3ZF8 GDP 8.52459
127 1XL8 152 8.57143
128 5AHW CMP 8.84354
129 5E5U MLI 9.09091
130 3HRD NIO 9.69697
131 6FA4 D1W 9.82659
132 3OQJ 3CX 10.1167
133 4FK7 P34 10.4803
134 1D8C GLV 10.5495
135 4R38 RBF 10.7143
136 2OQ2 A3P 10.728
137 3JYY PPV 10.8014
138 3NV3 GAL NAG MAN 11.5942
139 2W5P CL8 12.7517
140 4OUE IPT 12.967
141 3NK7 SAM 12.9964
142 1FWV SGA MAG FUC 13.4328
143 3TTZ 07N 13.6364
144 6GNO XDI 14.0741
145 4P8O 883 14.4385
146 4MCC 21X 14.6341
147 2IBN I1N 15.6
148 1GPM AMP 15.8242
149 5TVA AMP 16.6667
150 5YRV 5AD 18
151 2Y69 CHD 22.973
152 5Z84 CHD 23.2877
153 5ZCO CHD 23.2877
154 3RK1 ATP 31.2236
155 3RK0 AMP 31.2236
156 1KGI T4A 33.0709
Pocket No.: 2; Query (leader) PDB : 1K97; Ligand: ASP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1k97.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1K97; Ligand: ASP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1k97.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1K97; Ligand: ASP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1k97.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1K97; Ligand: CIR; Similar sites found with APoc: 156
This union binding pocket(no: 5) in the query (biounit: 1k97.bio1) has 39 residues
No: Leader PDB Ligand Sequence Similarity
1 1C4Q GLA GAL BGC None
2 5H9Q TD2 1.29032
3 1RZM PEP 1.47929
4 2PHW MAN MAN 1.5873
5 1Q8P MAN MMA 1.5873
6 2PHR MAN MAN 1.5873
7 2GND MAN MMA 1.5873
8 2PNC CLU 1.60858
9 5D9G GLU ASN LEU TYR PHE GLN 1.62602
10 5Z9S BGC 1.75824
11 1RYD GLC 1.80879
12 4KBA 1QM 1.81269
13 5LNW HG3 1.89873
14 1VCO GLN 1.97802
15 3HYW DCQ 2.09302
16 1VRP ADP 2.09974
17 4NOS ITU 2.10773
18 5OCG 9R5 2.1164
19 4GC1 MAN MAN 2.17391
20 1S5O 152 2.1978
21 5IFK HPA 2.24359
22 3G5S GSH 2.25734
23 4C1K PEP 2.29008
24 1ELI PYC 2.31362
25 1Q19 APC 2.41758
26 1MJH ATP 2.46914
27 1WMA AB3 2.53623
28 5A7Y SAH 2.5641
29 1VMK GUN 2.63736
30 5A2Z GTP 2.63736
31 1P3D ANP 2.63736
32 1GVF PGH 2.7972
33 2Z3U CRR 2.82353
34 3SHZ 5CO 2.88184
35 4NTO 1PW 2.89855
36 3BBH SFG 2.92683
37 1KQP ADJ 2.95203
38 5N0O SAM 3.01508
39 2GWH PCI 3.02013
40 5LNE A2G GAL 3.04878
41 3CBC DBS 3.07692
42 1O0S NAI 3.07692
43 2PZ8 APC 3.16901
44 3QPB URA 3.19149
45 1PDZ PGA 3.22581
46 3KLL MAL 3.2967
47 6MJF SAH 3.36788
48 3ZUY TCH 3.40557
49 1SDW IYT 3.50318
50 5KJW 53C 3.51288
51 3JQ3 ADP 3.55191
52 4IEN GDP 3.68098
53 1XNG ATP 3.73134
54 2YKL NLD 3.73626
55 3SAO DBH 3.75
56 3AIA SAM 3.79147
57 5OF1 SAL 3.80952
58 5XQW 8EU 4.14747
59 2C5S AMP 4.35835
60 5O0X FAD 4.46735
61 1A78 TDG 4.47761
62 2YY8 MTA 4.47761
63 1KJ1 MAN 4.58716
64 3JU6 ANP 4.59459
65 1GQY ACP 4.61538
66 3N8K D1X 4.65116
67 3ESS 18N 4.78261
68 5D3X 4IP 4.79042
69 4K55 H6P 4.83871
70 5EHS 5OY 4.85075
71 5EHS 2JJ 4.85075
72 4YRI 4JH 5.05494
73 4RYV ZEA 5.16129
74 5NM7 GLY 5.26316
75 5YSI NCA 5.26316
76 4RF7 ARG 5.27473
77 4JAL SAH 5.38922
78 5CKS GAL 5.41311
79 6EK3 OUL 5.42986
80 1F9V ADP 5.4755
81 5JH2 A2P 5.48387
82 2CHT TSA 5.51181
83 2WSI FAD 5.55556
84 3M3E GAL A2G NPO 5.59006
85 1QKQ MAN 5.6338
86 4Y24 TD2 5.84416
87 5H67 ATP 5.85106
88 1ID0 ANP 5.92105
89 6EMU SAM 6.09137
90 3HGM ATP 6.12245
91 5HWV MBN 6.15385
92 5TWJ SAM 6.17284
93 1LNX URI 6.17284
94 3B9Z CO2 6.18557
95 6B2M COA 6.29371
96 3THR C2F 6.48464
97 3G6K FAD 6.49351
98 3G6K POP 6.49351
99 4WOE ADP 6.59341
100 5NLM IOS 6.81319
101 4TVD BGC 6.81319
102 3FIU AMP 6.82731
103 3FIU POP 6.82731
104 2QS8 MET 6.9378
105 1M2Z BOG 7.00389
106 5DYO FLU 7.07547
107 6BGC BGC 7.23514
108 2R5V HHH 7.28291
109 4Q0A 4OA 7.28477
110 4V2O CLQ 7.31707
111 3KDM TES 7.33945
112 2G30 ALA ALA PHE 7.36434
113 2E5Y ATP 7.5188
114 4MOB ADP 7.53012
115 1GT4 UNA 7.54717
116 5J75 6GQ 7.57576
117 1T57 FMN 7.76699
118 1JGT CMA 7.91209
119 1JGT APC 7.91209
120 1VCE SAH 7.92453
121 1CT9 AMP 7.9566
122 5C1M CLR 8.10811
123 2Z5Y HRM 8.13187
124 3ALN ANP 8.25688
125 1O94 AMP 8.33333
126 3ZF8 GDP 8.52459
127 1XL8 152 8.57143
128 5AHW CMP 8.84354
129 5E5U MLI 9.09091
130 3HRD NIO 9.69697
131 6FA4 D1W 9.82659
132 3OQJ 3CX 10.1167
133 4FK7 P34 10.4803
134 1D8C GLV 10.5495
135 4R38 RBF 10.7143
136 2OQ2 A3P 10.728
137 3JYY PPV 10.8014
138 3NV3 GAL NAG MAN 11.5942
139 2W5P CL8 12.7517
140 4OUE IPT 12.967
141 3NK7 SAM 12.9964
142 1FWV SGA MAG FUC 13.4328
143 3TTZ 07N 13.6364
144 6GNO XDI 14.0741
145 4P8O 883 14.4385
146 4MCC 21X 14.6341
147 2IBN I1N 15.6
148 1GPM AMP 15.8242
149 5TVA AMP 16.6667
150 5YRV 5AD 18
151 2Y69 CHD 22.973
152 5Z84 CHD 23.2877
153 5ZCO CHD 23.2877
154 3RK1 ATP 31.2236
155 3RK0 AMP 31.2236
156 1KGI T4A 33.0709
Pocket No.: 6; Query (leader) PDB : 1K97; Ligand: CIR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 1k97.bio1) has 39 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 1K97; Ligand: CIR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 1k97.bio1) has 39 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 1K97; Ligand: CIR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 1k97.bio1) has 39 residues
No: Leader PDB Ligand Sequence Similarity
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