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Receptor
PDB id Resolution Class Description Source Keywords
5WS9 1.9 Å EC: 2.7.1.40 PYRUVATE KINASE (PYK) FROM MYCOBACTERIUM TUBERCULOSIS IN COM OXALATE, ATP AND ALLOSTERIC ACTIVATOR AMP MYCOBACTERIUM TUBERCULOSIS (STRAIN ATCH37RV) PYRUVATE KINASE GLYCOLYSIS TETRAMER ALLOSTERY SYNERGISMTRANSFERASE TRANSFERASE
Ref.: ALLOSTERIC PYRUVATE KINASE-BASED "LOGIC GATE" SYNERGISTICALLY SENSES ENERGY AND SUGAR LEVELS IN MYCOBACTERIUM TUBERCULOSIS. NAT COMMUN V. 8 1986 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ATP D:506;
A:505;
C:505;
B:505;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 submit data
507.181 C10 H16 N5 O13 P3 c1nc(...
MG B:501;
C:501;
D:501;
D:502;
A:501;
C:502;
 Part of Protein;
Part of Protein;
Part of Protein;
Invalid;
Part of Protein;
Invalid;
 none;
none;
none;
none;
none;
none;
 submit data
24.305 Mg [Mg+2...
OXL C:503;
D:503;
A:502;
B:502;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 submit data
88.019 C2 O4 C(=O)...
PO4 C:506;
B:506;
A:506;
D:507;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
94.971 O4 P [O-]P...
K D:505;
A:504;
B:504;
 Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
 submit data
39.098 K [K+]
AMP B:503;
A:503;
D:504;
C:504;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 submit data
347.221 C10 H14 N5 O7 P c1nc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5WS9 1.9 Å EC: 2.7.1.40 PYRUVATE KINASE (PYK) FROM MYCOBACTERIUM TUBERCULOSIS IN COM OXALATE, ATP AND ALLOSTERIC ACTIVATOR AMP MYCOBACTERIUM TUBERCULOSIS (STRAIN ATCH37RV) PYRUVATE KINASE GLYCOLYSIS TETRAMER ALLOSTERY SYNERGISMTRANSFERASE TRANSFERASE
Ref.: ALLOSTERIC PYRUVATE KINASE-BASED "LOGIC GATE" SYNERGISTICALLY SENSES ENERGY AND SUGAR LEVELS IN MYCOBACTERIUM TUBERCULOSIS. NAT COMMUN V. 8 1986 2017
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 5WSC - G6P C6 H13 O9 P C([C@@H]1[....
2 5WSB - G6P C6 H13 O9 P C([C@@H]1[....
3 5WS9 - OXL C2 O4 C(=O)(C(=O....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 5WSC - G6P C6 H13 O9 P C([C@@H]1[....
2 5WSB - G6P C6 H13 O9 P C([C@@H]1[....
3 5WS9 - OXL C2 O4 C(=O)(C(=O....
50% Homology Family (26)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5WSC - G6P C6 H13 O9 P C([C@@H]1[....
2 5WSB - G6P C6 H13 O9 P C([C@@H]1[....
3 5WS9 - OXL C2 O4 C(=O)(C(=O....
4 3BJF - FBP C6 H14 O12 P2 C([C@@H]1[....
5 6B6U - OXL C2 O4 C(=O)(C(=O....
6 4QG8 - MLI C3 H2 O4 C(C(=O)[O-....
7 4JPG - 1OX C16 H12 N4 O c1ccc2c(c1....
8 4G1N - NZT C24 H22 N6 O3 S c1cc2cccnc....
9 1A49 - OXL C2 O4 C(=O)(C(=O....
10 2G50 - PYR C3 H4 O3 CC(=O)C(=O....
11 6GG4 - PHE C9 H11 N O2 c1ccc(cc1)....
12 5X1V - FBP C6 H14 O12 P2 C([C@@H]1[....
13 3N25 - PRO C5 H9 N O2 C1C[C@H](N....
14 1A5U - OXL C2 O4 C(=O)(C(=O....
15 3QV9 - QV7 C22 H16 N4 O13 S4 c1cc(ccc1/....
16 3HQP - FDP C6 H14 O12 P2 C([C@@H]1[....
17 3QV8 - S62 C7 H5 N O6 S3 c1cc2c(cc1....
18 3PP7 - SVR C51 H40 N6 O23 S6 Cc1ccc(cc1....
19 4IP7 - FBP C6 H14 O12 P2 C([C@@H]1[....
20 4IMA - FLC C6 H5 O7 C(C(=O)[O-....
21 4KCV - FDP C6 H14 O12 P2 C([C@@H]1[....
22 4KCT - PYR C3 H4 O3 CC(=O)C(=O....
23 4HYW - FDP C6 H14 O12 P2 C([C@@H]1[....
24 4KCU - MLT C4 H6 O5 C([C@H](C(....
25 4HYV - PEP C3 H5 O6 P C=C(C(=O)O....
26 4KCW - OXL C2 O4 C(=O)(C(=O....
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: OXL; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 OXL 1 1
2 MLI 0.416667 0.642857
Ligand no: 3; Ligand: AMP; Similar ligands found: 395
No: Ligand ECFP6 Tc MDL keys Tc
1 A 1 1
2 AMP 1 1
3 A2D 0.833333 0.943662
4 ABM 0.833333 0.943662
5 ADP 0.823529 0.971429
6 A12 0.808824 0.931507
7 AP2 0.808824 0.931507
8 BA3 0.808824 0.943662
9 SRA 0.80303 0.944444
10 AP5 0.797101 0.943662
11 B4P 0.797101 0.943662
12 HEJ 0.788732 0.971429
13 ATP 0.788732 0.971429
14 AT4 0.785714 0.931507
15 AN2 0.785714 0.957747
16 5FA 0.777778 0.971429
17 AQP 0.777778 0.971429
18 APC 0.777778 0.931507
19 CA0 0.774648 0.917808
20 M33 0.774648 0.930556
21 AU1 0.774648 0.944444
22 ADX 0.774648 0.848101
23 ACP 0.763889 0.944444
24 50T 0.763889 0.957747
25 25A 0.75641 0.971429
26 AR6 0.753425 0.943662
27 PRX 0.753425 0.917808
28 APR 0.753425 0.943662
29 ACQ 0.746667 0.944444
30 T99 0.746667 0.931507
31 TAT 0.746667 0.931507
32 SAP 0.743243 0.918919
33 AD9 0.743243 0.944444
34 AGS 0.743243 0.918919
35 RBY 0.743243 0.905405
36 ADV 0.743243 0.905405
37 ANP 0.723684 0.944444
38 ADP PO3 0.72 0.942857
39 6YZ 0.717949 0.944444
40 5AL 0.714286 0.930556
41 SON 0.712329 0.931507
42 LMS 0.710145 0.825
43 RAB 0.709677 0.842857
44 XYA 0.709677 0.842857
45 ADN 0.709677 0.842857
46 ATF 0.705128 0.931507
47 GAP 0.701299 0.891892
48 A22 0.7 0.957747
49 SRP 0.696203 0.905405
50 7D5 0.691176 0.902778
51 A3P 0.684932 0.971014
52 A2P 0.684932 0.956522
53 ADP ALF 0.683544 0.868421
54 ALF ADP 0.683544 0.868421
55 ADQ 0.682927 0.917808
56 MAP 0.679012 0.918919
57 ADP VO4 0.675 0.930556
58 VO4 ADP 0.675 0.930556
59 OOB 0.670732 0.930556
60 9ZA 0.670732 0.906667
61 8QN 0.670732 0.930556
62 5SV 0.670732 0.87013
63 9ZD 0.670732 0.906667
64 PTJ 0.670588 0.894737
65 AOC 0.666667 0.84507
66 PAJ 0.662651 0.858974
67 4AD 0.662651 0.893333
68 A3R 0.662651 0.881579
69 A1R 0.662651 0.881579
70 AMO 0.662651 0.905405
71 5N5 0.661538 0.816901
72 DAL AMP 0.658537 0.90411
73 IMO 0.657534 0.928571
74 AHX 0.654762 0.87013
75 00A 0.654762 0.881579
76 DLL 0.654762 0.930556
77 5AS 0.653333 0.776471
78 A4D 0.651515 0.816901
79 5CD 0.651515 0.828571
80 9X8 0.647059 0.893333
81 OAD 0.647059 0.917808
82 3UK 0.647059 0.917808
83 ADP BMA 0.647059 0.891892
84 25L 0.643678 0.957747
85 PR8 0.639535 0.848101
86 WAQ 0.639535 0.881579
87 LAD 0.639535 0.858974
88 B5V 0.639535 0.905405
89 DTA 0.637681 0.808219
90 V3L 0.6375 0.971429
91 3DH 0.633803 0.794521
92 BIS 0.632184 0.906667
93 ME8 0.632184 0.8375
94 3OD 0.632184 0.917808
95 FYA 0.632184 0.930556
96 NB8 0.632184 0.87013
97 1ZZ 0.632184 0.8375
98 TXA 0.632184 0.905405
99 MTA 0.628571 0.794521
100 3AM 0.625 0.956522
101 EP4 0.623188 0.773333
102 A A 0.62069 0.971429
103 9SN 0.617977 0.87013
104 M2T 0.614286 0.753247
105 JB6 0.613636 0.881579
106 YAP 0.611111 0.893333
107 B5Y 0.611111 0.893333
108 FA5 0.611111 0.905405
109 B5M 0.611111 0.893333
110 MYR AMP 0.606742 0.814815
111 G5A 0.604938 0.776471
112 XAH 0.604396 0.8375
113 4UV 0.597826 0.893333
114 71V 0.597403 0.906667
115 ATP A A A 0.593407 0.929577
116 PAP 0.592593 0.957143
117 G3A 0.591398 0.894737
118 2AM 0.589041 0.942857
119 5X8 0.5875 0.783784
120 6RE 0.586667 0.779221
121 6C6 0.585366 0.905405
122 AFH 0.585106 0.858974
123 4UU 0.585106 0.893333
124 G5P 0.585106 0.894737
125 GA7 0.585106 0.905405
126 7D3 0.584416 0.878378
127 A5A 0.583333 0.804878
128 TSB 0.581395 0.795181
129 AMP DBH 0.580645 0.891892
130 TYR AMP 0.580645 0.868421
131 2A5 0.580247 0.891892
132 DQV 0.578947 0.930556
133 DSH 0.578947 0.74359
134 GTA 0.578947 0.860759
135 TAD 0.578947 0.858974
136 6IA 0.578313 0.858974
137 SSA 0.576471 0.776471
138 AMZ 0.575342 0.888889
139 C2R 0.575342 0.876712
140 PGS 0.575 0.857143
141 7D4 0.575 0.878378
142 ZAS 0.573333 0.786667
143 ATR 0.573171 0.942857
144 LAQ 0.572917 0.8375
145 AAM 0.571429 1
146 J7C 0.571429 0.789474
147 A3N 0.571429 0.783784
148 PPS 0.571429 0.848101
149 AIR 0.571429 0.927536
150 52H 0.569767 0.776471
151 54H 0.569767 0.785714
152 VMS 0.569767 0.785714
153 AR6 AR6 0.568421 0.916667
154 ARG AMP 0.568421 0.82716
155 7MD 0.568421 0.8375
156 YLP 0.56701 0.817073
157 48N 0.56701 0.87013
158 OVE 0.565789 0.90411
159 UPA 0.565657 0.881579
160 2SA 0.564706 0.905405
161 S4M 0.564103 0.682353
162 5CA 0.563218 0.776471
163 53H 0.563218 0.776471
164 8X1 0.563218 0.75
165 UP5 0.561224 0.893333
166 NAI 0.561224 0.881579
167 6V0 0.561224 0.87013
168 NAX 0.561224 0.848101
169 4UW 0.561224 0.858974
170 DND 0.561224 0.905405
171 TXD 0.561224 0.881579
172 NXX 0.561224 0.905405
173 NIA 0.56 0.820513
174 D5M 0.558442 0.902778
175 DA 0.558442 0.902778
176 MAO 0.556962 0.777778
177 AHZ 0.556701 0.814815
178 OMR 0.555556 0.82716
179 ITT 0.555556 0.915493
180 TYM 0.555556 0.905405
181 TXE 0.555556 0.881579
182 5AD 0.552239 0.768116
183 A2R 0.551724 0.957747
184 LPA AMP 0.55102 0.814815
185 DSZ 0.550562 0.776471
186 NSS 0.550562 0.776471
187 LSS 0.550562 0.758621
188 AP0 0.55 0.87013
189 YLC 0.55 0.8375
190 4TC 0.55 0.87013
191 YLB 0.55 0.817073
192 P5A 0.549451 0.741573
193 139 0.54902 0.848101
194 A4P 0.544554 0.819277
195 NVA LMS 0.544444 0.75
196 GJV 0.544304 0.769231
197 7D7 0.544118 0.763889
198 9K8 0.543478 0.711111
199 A7D 0.54321 0.797297
200 AF3 ADP 3PG 0.54 0.835443
201 6K6 0.539326 0.957143
202 IOT 0.539216 0.829268
203 A3G 0.538462 0.797297
204 LEU LMS 0.538462 0.75
205 A5D 0.535714 0.808219
206 7MC 0.534653 0.817073
207 T5A 0.533981 0.817073
208 ADJ 0.533981 0.82716
209 YLA 0.533981 0.817073
210 GSU 0.532609 0.776471
211 KAA 0.532609 0.75
212 7RA 0.531646 0.985507
213 SFG 0.53012 0.77027
214 SAH 0.529412 0.763158
215 HFD 0.529412 0.918919
216 AYB 0.528846 0.807229
217 CNA 0.528846 0.905405
218 N6P 0.527473 0.942029
219 8BR 0.525 0.931507
220 F2R 0.52381 0.839506
221 80F 0.523364 0.817073
222 Y3J 0.521127 0.746479
223 YSA 0.520833 0.776471
224 7RP 0.518987 0.955882
225 BTX 0.518868 0.839506
226 NAD 0.518868 0.930556
227 COD 0.518868 0.788235
228 G A A A 0.518868 0.87013
229 MHZ 0.518072 0.714286
230 SA8 0.517647 0.725
231 6AD 0.517241 0.883117
232 DZD 0.514019 0.858974
233 BT5 0.514019 0.829268
234 RMB 0.5125 0.898551
235 SAI 0.511628 0.753247
236 AV2 0.511364 0.890411
237 8PZ 0.510417 0.776471
238 A3D 0.509259 0.917808
239 A3S 0.506024 0.808219
240 3AT 0.505747 0.943662
241 SAM 0.505747 0.707317
242 SMM 0.505618 0.702381
243 NA7 0.505376 0.931507
244 4TA 0.504673 0.804878
245 AMP NAD 0.504673 0.90411
246 EEM 0.5 0.707317
247 G 0.5 0.905405
248 NEC 0.5 0.743243
249 5GP 0.5 0.905405
250 AAT 0.5 0.725
251 YLY 0.495495 0.807229
252 M24 0.495495 0.848101
253 7C5 0.494949 0.815789
254 DAT 0.494118 0.878378
255 A3T 0.494118 0.819444
256 P2P 0.493827 0.928571
257 FAI 0.493827 0.888889
258 1RB 0.493671 0.911765
259 NAE 0.491071 0.893333
260 U A 0.490909 0.906667
261 NAJ PZO 0.490909 0.846154
262 A G 0.490741 0.881579
263 TM1 0.489583 0.771084
264 A A A 0.489362 0.90411
265 A6D 0.489362 0.740741
266 PO4 PO4 A A A A PO4 0.489362 0.901408
267 S7M 0.488889 0.707317
268 DTP 0.488636 0.878378
269 RBZ 0.4875 0.873239
270 101 0.4875 0.902778
271 EAD 0.486957 0.848101
272 NAQ 0.486726 0.87013
273 U A G G 0.486239 0.881579
274 4YB 0.485149 0.758621
275 NDE 0.483051 0.931507
276 ZID 0.482456 0.917808
277 N0B 0.482456 0.817073
278 WSA 0.480769 0.785714
279 RGT 0.479592 0.931507
280 ARU 0.478723 0.835443
281 GGZ 0.478261 0.8
282 JLN 0.47561 0.863014
283 ANZ 0.475248 0.820513
284 QQY 0.475 0.837838
285 ACK 0.475 0.885714
286 NAJ PYZ 0.473684 0.804878
287 S8M 0.473118 0.779221
288 GEK 0.473118 0.734177
289 AVV 0.473118 0.87013
290 3AD 0.472973 0.828571
291 A U 0.471698 0.868421
292 P1H 0.470588 0.82716
293 0UM 0.468085 0.716049
294 RVP 0.467532 0.847222
295 649 0.466667 0.741573
296 Z5A 0.465517 0.776471
297 PMO 0.464286 0.873239
298 SXZ 0.463918 0.707317
299 62X 0.463158 0.682353
300 QQX 0.4625 0.826667
301 8Q2 0.462264 0.75
302 2VA 0.45977 0.797297
303 IMP 0.458824 0.90411
304 K15 0.458333 0.698795
305 CC5 0.458333 0.84058
306 AS 0.457831 0.855263
307 DDS 0.455556 0.851351
308 V1N 0.455446 0.943662
309 NJP 0.454545 0.918919
310 7DD 0.453488 0.957143
311 93A 0.453488 0.804878
312 G7M 0.453488 0.87013
313 3L1 0.453333 0.77027
314 3D1 0.453333 0.77027
315 EO7 0.452381 0.785714
316 NDC 0.45082 0.87013
317 FB0 0.45082 0.781609
318 0WD 0.45045 0.894737
319 NVA 2AD 0.449438 0.75641
320 26A 0.447368 0.76
321 2FA 0.447368 0.810811
322 2BA 0.447059 0.914286
323 CMP 0.447059 0.927536
324 D3Y 0.446809 0.786667
325 KB1 0.444444 0.716049
326 APU 0.444444 0.893333
327 VRT 0.444444 0.766234
328 SO8 0.444444 0.786667
329 FDA 0.443548 0.809524
330 PUA 0.443478 0.858974
331 ODP 0.441441 0.883117
332 6FA 0.44 0.817073
333 103 0.439024 0.861111
334 RP1 0.439024 0.864865
335 SP1 0.439024 0.864865
336 3NZ 0.438776 0.779221
337 A C A C 0.438596 0.846154
338 7DT 0.438202 0.957143
339 NDP 0.436364 0.894737
340 NPW 0.436364 0.860759
341 MTP 0.434211 0.727273
342 FAS 0.433071 0.82716
343 SFD 0.433071 0.712766
344 FAD 0.433071 0.82716
345 IRN 0.432432 0.867647
346 ZZB 0.432432 0.792683
347 TXP 0.432432 0.894737
348 NZQ 0.432432 0.883117
349 62F 0.430769 0.8375
350 FNK 0.430769 0.781609
351 128 0.429907 0.752941
352 1DA 0.428571 0.842857
353 6MD 0.428571 0.805556
354 PAX 0.428571 0.82716
355 SLU 0.426087 0.767442
356 XNP 0.424779 0.848101
357 12D 0.424528 0.761905
358 5F1 0.423077 0.72973
359 ETB 0.422414 0.809524
360 DCA 0.422414 0.8
361 F0P 0.422018 0.725
362 WMP 0.421053 0.864865
363 GUO 0.421053 0.864865
364 FAY 0.416667 0.8375
365 38Y 0.415929 0.804878
366 5J9 0.415842 0.728395
367 COA 0.415254 0.8
368 0T1 0.415254 0.8
369 KH3 0.415094 0.690476
370 U A C C 0.413793 0.857143
371 N01 0.413793 0.90411
372 FMP 0.413793 0.871429
373 RFL 0.413534 0.797619
374 NMN AMP PO4 0.412281 0.868421
375 GP2 0.408602 0.858974
376 GDP 0.408602 0.893333
377 NAP 0.408333 0.944444
378 NOC 0.407895 0.760563
379 2ER 0.405941 0.831169
380 1PR 0.405941 0.820513
381 P5F 0.405797 0.8
382 CAO 0.404959 0.772727
383 TAP 0.404959 0.906667
384 30N 0.404959 0.731183
385 COS 0.404959 0.781609
386 AMX 0.404959 0.809524
387 XMP 0.402299 0.891892
388 G2P 0.402062 0.858974
389 APC G U 0.401709 0.833333
390 U A A U 0.401639 0.906667
391 CMX 0.401639 0.8
392 NA0 0.401639 0.931507
393 SCO 0.401639 0.8
394 9JJ 0.40146 0.8375
395 F2N 0.4 0.790698
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5WS9; Ligand: ATP; Similar sites found with APoc: 54
This union binding pocket(no: 1) in the query (biounit: 5ws9.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 4WG0 CHD None
2 4L9Z OXL 1.47493
3 4L9Z COA 1.47493
4 1M3U KPL 1.89394
5 1VBH PEP 1.89474
6 5GQX GLC GLC GLC 2.10526
7 1OFZ FUL 2.24359
8 2REG CHT 2.34899
9 4GQP B40 2.40964
10 4TR9 ASP TRP ASN 2.43902
11 1Q0H NDP 2.46305
12 4I7E PEP 2.50784
13 4KTP BGC 2.73684
14 2HJR CIT 2.7439
15 5M42 FMN 2.86738
16 3WCZ CIT 2.92208
17 3CV2 OXL 2.94737
18 1IZC PYR 2.94985
19 1O68 KIV 3.27273
20 4OOE NDP 3.46535
21 5A5W GUO 3.55731
22 1P7T PYR 3.57895
23 1D8C GLV 3.57895
24 4L80 OXL 3.73563
25 1O5Q PYR 3.93443
26 4XWT U5P 4
27 5NC1 NAG 4.64135
28 1MEX RAC 4.65116
29 3WIR BGC 4.84211
30 4H6Q FAD 5.12821
31 5FAL SKT 5.13393
32 5FAL COA 5.13393
33 1QPR PPC 5.6338
34 1JQN DCO 5.68421
35 1VKF CIT 5.85106
36 2XZ9 PYR 5.8642
37 1IGW PYR 6.2212
38 1UJP CIT 6.27306
39 4RYV ZEA 6.45161
40 5NBW 8SK 6.75676
41 2V5K OXM 6.96864
42 1VDN ACE ALA ALA PRO ALA MCM 7.40741
43 6GNO XDI 7.40741
44 4B5W PYR 7.8125
45 4NAE 1GP 8
46 1U08 PLP 8.03109
47 2VWT PYR 8.98876
48 5A7V BMA 9.02062
49 5A7V MAN 9.02062
50 3AXM 6PG 9.30233
51 5XOY LYS 11.7962
52 4UTU LRY 13.5371
53 4UTW RFW 13.5371
54 1KC7 PPR 14.7368
Pocket No.: 2; Query (leader) PDB : 5WS9; Ligand: ATP; Similar sites found with APoc: 4
This union binding pocket(no: 2) in the query (biounit: 5ws9.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 1OYF MHN 3.30579
2 4OKD GLC GLC GLC 4.21053
3 4NPL AKG 4.4
4 4AMF ACP 8.42105
Pocket No.: 3; Query (leader) PDB : 5WS9; Ligand: OXL; Similar sites found with APoc: 209
This union binding pocket(no: 3) in the query (biounit: 5ws9.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 4R38 RBF None
2 2WSI FAD 0.980392
3 4HWT 1B2 1.45278
4 2WOX NDP 1.47368
5 2WME NAP 1.47368
6 4L9Z COA 1.47493
7 4L9Z OXL 1.47493
8 3G6K FAD 1.62338
9 3G6K POP 1.62338
10 3EBL GA4 1.64384
11 1F28 F89 1.6835
12 2R5N TPP 1.68421
13 2R5N RP5 1.68421
14 3AWJ COA 1.74129
15 5WNL STU 1.75439
16 3HAZ FAD 1.89474
17 1VBH PEP 1.89474
18 1IR3 ANP 1.96078
19 1V0O INR 2.08333
20 2D4V NAD 2.0979
21 1UH4 GLC GLC GLC 2.1978
22 4QDF 30Q 2.28426
23 3MJY FMN 2.31214
24 3MJY IJZ 2.31214
25 2X1L ADN 2.31579
26 4RW3 IPD 2.31788
27 2IV3 UDP 2.33918
28 1QD1 FON 2.46154
29 1NJR XYL 2.46479
30 5ULJ 0WD 2.49377
31 4I7E PEP 2.50784
32 5XET ME8 2.52632
33 4JD3 COA 2.54958
34 4JD3 PLM 2.54958
35 1XCL SAH 2.55319
36 1HYE NAP 2.55591
37 4XGU ADP 2.59434
38 5J75 6GQ 2.65152
39 3PE2 E1B 2.67062
40 1XRO LEU 2.73038
41 1ERB ETR 2.73224
42 1EE0 CAA 2.73632
43 3ETG GLU 2.73684
44 3ETG NDP 2.73684
45 6FCX FAD 2.73684
46 2Q28 ADP 2.73684
47 4I9A NCN 2.77778
48 1IA9 ANP 2.85714
49 5M42 FMN 2.86738
50 6FNU FAD 2.92208
51 3WCZ CIT 2.92208
52 3CV2 OXL 2.94737
53 1IZC PYR 2.94985
54 1XHL NDP 3.0303
55 3DR4 G4M 3.06905
56 4I42 1HA 3.15789
57 5W19 9TD 3.21199
58 4UBT 3G6 3.25815
59 6AMI TRP 3.28283
60 4EDK GTP 3.34347
61 6GUE FB8 3.35821
62 5KF6 FAD 3.36842
63 5KF6 TFB 3.36842
64 6F4W FMC 3.43348
65 3SUD SUE 3.44828
66 2QCD U5P 3.46154
67 5WX3 COA 3.53535
68 5UBG PRT 3.53982
69 5A5W GUO 3.55731
70 1X1Z BMP 3.57143
71 1P7T PYR 3.57895
72 1D8C GLV 3.57895
73 1D6H COA 3.61757
74 4L80 OXL 3.73563
75 2Z7R STU 3.73832
76 3EWC MCF 3.77358
77 4O8A FAD 3.78947
78 1TIW FAD 3.78947
79 1TIW TFB 3.78947
80 3O0Q ADN 3.78947
81 3O0Q TTP 3.78947
82 3O0Q GDP 3.78947
83 2F2H XTG 3.78947
84 1ME8 RVP 3.78947
85 3IAL PR8 3.78947
86 5XQW 8EU 3.79147
87 1FDJ 2FP 3.85675
88 5XFV FMN 3.89222
89 4R5M NAP 3.98936
90 4R5M 4NO 3.98936
91 2WQP WQP 4.01146
92 1UPF URF 4.01786
93 5TKJ ALA VAL GLY ILE GLY ALA VAL PHE 4.10959
94 5U61 7WG 4.15225
95 4FL0 PLP 4.16667
96 5UFF 8B7 4.16667
97 5NNA BZM 4.16667
98 4NMC 2OP 4.21053
99 4NMC FAD 4.21053
100 1G51 AMO 4.21053
101 5XDT MB3 4.22078
102 5X9D 80F 4.27632
103 4BGB ADP 4.30769
104 4K38 SAM 4.32432
105 4GID 0GH 4.38144
106 1C9K 5GP 4.44444
107 3T4L ZEA 4.44444
108 5UF1 FUC GAL NAG 4.45344
109 4NZF ARB 4.46429
110 1WUB OTP 4.49438
111 5HES 032 4.56026
112 2VAP GDP 4.67033
113 1UNH IXM 4.79452
114 3LL5 IPE 4.81928
115 3APT FAD 4.83871
116 4ZDC CO8 4.84211
117 4UX9 ANP 4.94506
118 4H6Q FAD 5.12821
119 4H6Q TFB 5.12821
120 5Y2W PGA 5.12821
121 1IIU RTL 5.17241
122 1XJD STU 5.21739
123 1Y0G 8PP 5.2356
124 1PIG AGL GLC HMC AGL GLC BGC 5.26316
125 3O0G 3O0 5.36913
126 5K5M 68T 5.47368
127 4MNS 2AX 5.66038
128 6C6O ENG 5.68421
129 1JQN DCO 5.68421
130 4X7Q 3YR 5.76923
131 2XZ9 PYR 5.8642
132 5A3T MMK 5.89474
133 1JE1 GMP 5.9322
134 1GQG DCD 6
135 6CDO ALA VAL GLY ILE GLY ALA VAL PHE 6.08696
136 3UWV 2PG 6.13027
137 2NP9 YE1 6.13636
138 1LUA NAP 6.27178
139 1UJP CIT 6.27306
140 2FLI DX5 6.36364
141 4IDT T28 6.46067
142 3WBF NAP 6.55738
143 4L3L 5FI 6.57895
144 5T8O 76Z 6.59026
145 4WZH FMN 6.62824
146 4B7X NAP 6.84524
147 2V5K OXM 6.96864
148 5DQ8 FLF 7.08333
149 2F2U M77 7.21393
150 1N62 MCN 7.22892
151 5UFC DR2 7.25806
152 6GNO XDI 7.40741
153 3CQD ATP 7.44337
154 4RFM 3P6 7.5188
155 2CYE COA 7.5188
156 2HKA C3S 7.69231
157 4B5W PYR 7.8125
158 5TBM 79A 7.82609
159 3TXO 07U 7.93201
160 2G37 FAD 7.95107
161 1N07 ADP 7.97546
162 4YSX FAD 7.97872
163 1U08 PLP 8.03109
164 3DLS ADP 8.0597
165 3E2M E2M 8.10811
166 2RHQ GAX 8.16327
167 1XKQ NDP 8.21429
168 4B2Z P5S 8.25893
169 5O3Q CMP 8.33333
170 1F0X FAD 8.42105
171 1V3S ATP 8.62069
172 2J3M PRI 8.63158
173 2J3M ATP 8.63158
174 1M5W DXP 8.64198
175 3RJ5 NAD 8.66142
176 4QIJ 1HA 8.68263
177 3A1C ACP 8.7108
178 1UUO ORO 8.87097
179 1UUO FMN 8.87097
180 2VWT PYR 8.98876
181 1FFU CDP 9.20245
182 1Q6O LG6 9.25926
183 6CLV 6MB 9.27835
184 2DC1 NAD 9.32203
185 3KAP FMN 9.52381
186 3LF0 ATP 9.64912
187 4S28 SAH 9.68421
188 4S28 AIR 9.68421
189 2GAG FAD 10.1235
190 5WC2 ADP 10.1852
191 2Y7G AAE 10.2837
192 4IQY AR6 10.4167
193 2D3M COA 11.0837
194 1LBF 137 11.7409
195 2J9D ADP 11.7647
196 2X34 UQ8 12.1547
197 3E85 BSU 12.6582
198 3H22 B53 12.7946
199 2X32 OTP 12.8492
200 1RE8 BD2 12.8571
201 1T90 NAD 13.0526
202 3FHI ANP 13.6364
203 4GKV NAD 14.2857
204 3RYC GTP 14.6853
205 1KC7 PPR 14.7368
206 1XG4 ICT 18.9831
207 4WB6 ATP 30
208 4WB7 ATP 30
209 5UKL SIX 37.0968
Pocket No.: 4; Query (leader) PDB : 5WS9; Ligand: OXL; Similar sites found with APoc: 77
This union binding pocket(no: 4) in the query (biounit: 5ws9.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 4AQL TXC 1.26316
2 3EI9 PL6 1.38889
3 4NBT NAD 1.66667
4 4W93 3L9 1.89474
5 2E7Z MGD 1.89474
6 1TB4 PEJ 2.15633
7 3TWD GOB 2.25225
8 3EXS 5RP 2.26244
9 3MF2 AMP 2.31214
10 1D4D FAD 2.31579
11 2PI8 NAG NAG NAG NAG NAG NAG 2.31884
12 2REG CHT 2.34899
13 2UZ1 TPP 2.52632
14 1KGQ NPI 2.55474
15 2C49 ANP 2.64901
16 5Y72 DST 2.68657
17 1B8O IMH 2.8169
18 4CZG QH3 2.87356
19 4EWH T77 2.90909
20 1GR0 NAD 2.99728
21 2RL1 UD1 3.06604
22 3OIX FMN 3.18841
23 4LJ3 C2E 3.22581
24 5YIC 8VO 3.35366
25 5I34 GDP 3.62812
26 3ZXR IQ1 3.78947
27 3ZXR P3S 3.78947
28 4JNA FAD 3.82353
29 4N6H EJ4 3.86473
30 4E5N NAD 3.93939
31 3FC4 EDO 4
32 5GXU FAD 4
33 5VEO AMP 4.08654
34 2WLG SOP 4.65116
35 2QRK AMP 4.84211
36 1LAN LEU 4.84211
37 1OFU GDP 5.04202
38 5TIV A3P 5.13834
39 5H2U 1N1 5.24345
40 2V1O COA 5.29801
41 1LSH PLD 5.32915
42 5QIN J2V 5.37975
43 2UZH CDP 5.45455
44 2YW2 ATP 5.66038
45 2Q8Z NUP 5.84795
46 3MEH THP 6.29371
47 3HBN UDP 6.38298
48 5ODQ 9SB 6.42857
49 5ODY 9SK 6.52174
50 1PFK ADP 6.875
51 5LYR MAN MNM 6.94737
52 4JEJ 1GP 6.96721
53 1N62 FAD 7.22892
54 4H2V AMP 7.27273
55 3O3R NAP 7.27848
56 4LXH C1E 7.58123
57 6GIN IR2 7.6412
58 5ZZ6 NAD 7.69231
59 1V1A ADP 7.76699
60 6MPT C30 8.04196
61 4H2W AMP 8.73786
62 4H2W 5GP 8.73786
63 3EFS BTN 9.01288
64 1FFU FAD 9.20245
65 3C3N FMN 9.29487
66 4S3F 43W 9.60591
67 5A89 FMN 9.61539
68 5A89 ADP 9.61539
69 2B3D FAD 10.2941
70 2YVK MRU 11.4973
71 2BUP ATP 11.811
72 2BUP ADP 11.811
73 4JLS 3ZE 11.8421
74 1QS0 TDP 13.3136
75 2ZRU FMN 13.3152
76 3G5D 1N1 15.7343
77 4CNO 9PY 17.0635
Pocket No.: 5; Query (leader) PDB : 5WS9; Ligand: AMP; Similar sites found with APoc: 410
This union binding pocket(no: 5) in the query (biounit: 5ws9.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 3LQV ADE None
2 3G5S GSH 1.3544
3 3H8V ATP 1.36986
4 1U2Z SAH 1.38568
5 2WME NAP 1.47368
6 3FJO FMN 1.47368
7 3S1S SAH 1.47368
8 5WP5 SAH 1.47368
9 3X01 AMP 1.52672
10 3TY3 GGG 1.63934
11 4YMJ 4EJ 1.64474
12 2NCD ADP 1.66667
13 4AMV F6R 1.68421
14 3OND NAD 1.68421
15 3OND ADN 1.68421
16 2JFV FLC 1.71821
17 1T5C ADP 1.7192
18 4LRJ ANP 1.77515
19 1KYQ NAD 1.82482
20 2D24 XYS XYS 1.83486
21 5C9P FUC 1.83727
22 5ULP KB1 1.86567
23 2JJQ SAH 1.88235
24 1V59 NAD 1.89474
25 3ICS ADP 1.89474
26 2E4U GLU 1.89474
27 3ICT ADP 1.89474
28 4ZUL UN1 1.89474
29 3PT9 SAH 1.89474
30 5MPT SAH 1.93237
31 4UP4 NDG 1.99501
32 2C3H GLC GLC 2.04082
33 3GF4 FAD 2.05128
34 3GF4 UPG 2.05128
35 3L6C MLI 2.0649
36 2Z48 A2G 2.08333
37 4D86 ADP 2.10526
38 1EWK GLU 2.10526
39 4C4A SAH 2.10526
40 1YQT ADP 2.10526
41 4ZDJ UTP 2.10526
42 1JG3 ADN 2.12766
43 5GVR LMR 2.13675
44 1FUR MLT 2.14133
45 3TLJ SAH 2.14477
46 4WEI GLC GAL 2.16606
47 1KKR 2AS 2.17918
48 3LKZ SFG 2.18069
49 1IXI 2HP 2.18069
50 3FWY ADP 2.2293
51 1P9B HDA 2.26244
52 1I7E IBS 2.26415
53 3KVY URA 2.26537
54 4UXU MLK 2.29358
55 2XOC ADP 2.29885
56 2BMB PMM 2.31579
57 1D4D SIN 2.31579
58 3NKS ACJ 2.31579
59 2IV3 UDP 2.33918
60 1TZJ A3B 2.36686
61 5MW4 5JU 2.39521
62 6A20 ADP 2.51716
63 4Z7X 3CX 2.52101
64 2JHP SAH 2.52632
65 4CSD MFU 2.57353
66 4USI AKG 2.5974
67 3L6R MLI 2.60116
68 2P41 SAH 2.62295
69 1R18 SAH 2.64317
70 4JBL MET 2.65487
71 4Y4V DAL 2.65487
72 4AVB CMP 2.7027
73 4YJK URA 2.77778
74 2HIM ASN 2.7933
75 3LRE ADP 2.8169
76 3VPD CIT 2.84698
77 5M42 FMN 2.86738
78 2AWN ADP 2.88714
79 2VSS ACO 2.89855
80 3EVG SAH 2.90909
81 3OTH TYD 2.91262
82 3CV2 COA 2.94737
83 4JAL SAH 2.99401
84 2POC BG6 2.99728
85 5N6C TLA 3
86 3RKR NAP 3.05344
87 5ZI9 FLC 3.07692
88 1MJH ATP 3.08642
89 1NE7 16G 3.11419
90 5F7J ADE 3.125
91 4PPF FLC 3.14286
92 1GPE FAD 3.15789
93 5OSW AE4 3.15789
94 3SRV S19 3.2491
95 3VSE SAH 3.26633
96 1QAN SAH 3.27869
97 4XFR CIT 3.27869
98 2FJK 13P 3.27869
99 4XG0 CIT 3.27869
100 6AM8 TRP 3.28283
101 4B4U NAP 3.30033
102 3GYQ SAM 3.30882
103 4AG5 ADP 3.31633
104 2O2C G6Q 3.36842
105 1T10 F6P 3.36842
106 5VEG FMN 3.37079
107 1GOJ ADP 3.38028
108 2PEL LBT 3.38983
109 2PEL LAT 3.38983
110 1NW5 SAM 3.44828
111 5Z20 OXM 3.47826
112 1DQN IMU 3.47826
113 3EF0 ALF 3.49462
114 1G55 SAH 3.49854
115 3OVR 5SP 3.50877
116 4YKI GLY 3.51562
117 5H4S RAM 3.52113
118 3CBC DBS 3.53535
119 1XTP SAI 3.54331
120 2Y65 ADP 3.56164
121 5JBE MAL 3.57895
122 4CP8 MLI 3.57895
123 2EFX NFA 3.58127
124 2D2F ADP 3.6
125 3LZW NAP 3.61446
126 1RV0 NDG 3.65854
127 4U00 ADP 3.68852
128 1JAY F42 3.77358
129 6HKE MLT 3.77358
130 6HKE LMR 3.77358
131 4FFG 0U8 3.78947
132 3WMX THR 3.78947
133 4X1B MLI 3.78947
134 5TE1 7A2 3.78947
135 4WZ6 ATP 3.7931
136 1MAI I3P 3.81679
137 4JNA FAD 3.82353
138 1MZV AMP 3.82979
139 3ITJ CIT 3.84615
140 2JFN GLU 3.85965
141 1L5Y BEF 3.87097
142 1JJV ATP 3.8835
143 6FDF SAH 3.89222
144 3JUC PCA 3.92157
145 2W58 ADP 3.9604
146 4QAR ADE 3.9801
147 1QDS PGA 3.98406
148 5TCI MLI 3.98551
149 1AG9 FMN 4
150 3RC3 ANP 4
151 3GD8 GOL 4.03587
152 5XNC MTA 4.04313
153 3QH2 3NM 4.0724
154 1YQC GLV 4.11765
155 5CUQ NSC 4.11985
156 4FRZ ADP 4.14508
157 1B0U ATP 4.19847
158 1G51 AMP 4.21053
159 4YSW URC 4.21053
160 1PN0 FAD 4.21053
161 1PN0 IPH 4.21053
162 1OXV ANP 4.24929
163 5J6Y GLC 4.25532
164 5J6Y BGC 4.25532
165 2VVG ADP 4.28571
166 5W5R PYR