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Receptor
PDB id Resolution Class Description Source Keywords
3ND6 2.3 Å EC: 2.7.7.3 CRYSTAL STRUCTURE OF PHOSPHOPANTETHEINE ADENYLYLTRANSFERASE COMPLEX WITH ATP FROM ENTEROCOCCUS FAECALIS ENTEROCOCCUS FAECALIS PHOSPHOPANTETHEINE ADENYLYLTRANSFERASE PPAT COENZYME A BIOPATHWAY TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF PHOSPHOPANTETHEINE ADENYLYLTRA FROM ENTEROCOCCUS FAECALIS IN THE LIGAND-UNBOUND ST IN COMPLEX WITH ATP AND PANTETHEINE MOL.CELLS V. 32 431 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ATP A:961;
B:962;
C:963;
D:964;
E:965;
F:966;
 Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
none;
none;
 submit data
507.181 C10 H16 N5 O13 P3 c1nc(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3ND6 2.3 Å EC: 2.7.7.3 CRYSTAL STRUCTURE OF PHOSPHOPANTETHEINE ADENYLYLTRANSFERASE COMPLEX WITH ATP FROM ENTEROCOCCUS FAECALIS ENTEROCOCCUS FAECALIS PHOSPHOPANTETHEINE ADENYLYLTRANSFERASE PPAT COENZYME A BIOPATHWAY TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF PHOSPHOPANTETHEINE ADENYLYLTRA FROM ENTEROCOCCUS FAECALIS IN THE LIGAND-UNBOUND ST IN COMPLEX WITH ATP AND PANTETHEINE MOL.CELLS V. 32 431 2011
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 3ND7 - PNY C11 H22 N2 O4 S CC(C)(CO)[....
2 3ND6 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 3ND7 - PNY C11 H22 N2 O4 S CC(C)(CO)[....
2 3ND6 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
50% Homology Family (47)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6CHO ic50 = 167 nM F14 C21 H21 N5 O3 CC1=Nc2nc(....
2 6CHL Kd = 9 nM EXJ C15 H13 Cl N6 O CC1=Nc2nc(....
3 6CCN ic50 = 0.051 uM EXS C15 H21 N3 O4 CC(C)(CO)[....
4 6CCM ic50 = 5.6 uM EXP C13 H12 Br N5 O CC1=Nc2nc(....
5 6CHN Kd = 11 nM F1D C22 H25 N7 O4 CC1=Nc2nc(....
6 6B7C Kd = 7.2 uM CWP C13 H16 N6 Cc1ccc2c(n....
7 6B7A Kd = 32 uM CWM C8 H8 N2 O Cc1[nH]c2c....
8 6CCL ic50 = 273 uM EXG C13 H11 N3 c1ccc(cc1)....
9 1H1T - PNS C11 H23 N2 O7 P S CC(C)(COP(....
10 1GN8 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
11 6CCK ic50 = 0.037 uM EXJ C15 H13 Cl N6 O CC1=Nc2nc(....
12 1B6T - COD C21 H35 N7 O13 P2 S CC(C)(CO[P....
13 6CHQ ic50 = 4.4 uM F0V C20 H19 Cl N5 Cc1ccc(cc1....
14 6CCQ ic50 = 0.25 uM EX7 C15 H13 Cl N2 O c1cc(cc(c1....
15 6CHP Kd = 0.075 nM F0Y C24 H28 N6 O2 Cc1ccc2c(n....
16 6CCS ic50 = 230 uM EXD C8 H5 F3 N2 O c1cc2c(c(c....
17 6CKW Kd = 0.83 nM F6D C24 H25 Cl N8 O Cc1cc(n2c(....
18 6B7D ic50 = 546 uM CWG C13 H13 Cl N2 O Cc1c(c(nnc....
19 6CCO ic50 = 0.051 uM EXV C19 H18 N2 O3 c1cc(cc(c1....
20 6B7B Kd = 1280 uM CWJ C10 H11 N O Cc1cc2cc(c....
21 1QJC - PNS C11 H23 N2 O7 P S CC(C)(COP(....
22 6CHM ic50 = 199 uM F1V C16 H22 N2 O2 CC(C)(C)C(....
23 6B7E ic50 = 320.6 uM CWA C15 H14 F2 N2 O2 CC1([C@@H]....
24 3ND7 - PNY C11 H22 N2 O4 S CC(C)(CO)[....
25 3ND6 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
26 3UC5 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
27 3PNB - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
28 3NBK - PNS C11 H23 N2 O7 P S CC(C)(COP(....
29 1OD6 - PNS C11 H23 N2 O7 P S CC(C)(COP(....
30 5O0A Kd = 0.58 mM 9FH C11 H10 N2 O2 Cc1c(cnn1c....
31 5O0D - 9F5 C14 H12 O4 c1ccc(cc1)....
32 5O0F - IOP C11 H11 N O2 c1ccc2c(c1....
33 5O08 - COD C21 H35 N7 O13 P2 S CC(C)(CO[P....
34 5O0C - 9F8 C12 H13 N O2 Cc1cn(c2c1....
35 5O0B Kd = 66 uM 9FE C8 H5 Br N2 O2 c1cc2c(cc1....
36 5O0H - 9FN C14 H8 Cl N O5 c1ccc(c(c1....
37 3K9W - ADE C5 H5 N5 c1[nH]c2c(....
38 3PXU - COD C21 H35 N7 O13 P2 S CC(C)(CO[P....
39 1O6B - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
40 4NAU - 2W3 C25 H26 Cl2 N6 O4 CCc1cc(nc(....
41 4NAH - 2VJ C24 H25 Cl2 N5 O3 S CCc1cc(nc(....
42 3F3M - PPS C10 H15 N5 O13 P2 S c1nc(c2c(n....
43 4NAT - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
44 4RUK - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
45 3X1J Ki = 8.4 uM ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
46 3X1M Ki = 6.5 uM COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
47 1VLH - PNS C11 H23 N2 O7 P S CC(C)(COP(....
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
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3ND6; Ligand: ATP; Similar sites found with APoc: 101
This union binding pocket(no: 1) in the query (biounit: 3nd6.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
1 1C9K 5GP None
2 2Y7I ARG None
3 2VWA PTY None
4 3O01 DXC None
5 4WG0 CHD None
6 3G6N MET ALA SER 1.75439
7 6GMN F4E 1.75439
8 2D24 XYS XYS 2.33918
9 6BR8 PGV 2.33918
10 5LNW RP5 2.33918
11 6F5W KG1 2.92398
12 4UYW H1S 2.92398
13 1KNM LAT 3.07692
14 2CYB TYR 3.50877
15 5XJ7 87O 3.50877
16 2BOY BHO 3.50877
17 3ZKI WZV 3.50877
18 4O4Z N2O 3.8961
19 3KO0 TFP 3.9604
20 5Y0T TAT 4.09357
21 5Y0Q APC 4.09357
22 5JOG 6LT 4.09357
23 3HL4 CDC 4.09357
24 5Y0N ATP 4.09357
25 1YID ATP 4.09357
26 2CYC TYR 4.09357
27 5DCH 1YO 4.09357
28 4RYV ZEA 4.51613
29 5OM2 DXT 4.60705
30 5IUY BOG 4.67836
31 1M2Z BOG 4.67836
32 5X13 HC4 4.67836
33 4HY1 19X 4.67836
34 2HZL PYR 4.67836
35 3ET3 ET1 4.67836
36 1PFY MSP 4.71869
37 6BJO DUY 4.8
38 5X3D 7XL 5
39 5LX9 OLB 5.26316
40 1V47 ADX 5.26316
41 4MAF ADX 5.26316
42 1UY4 XYP XYP XYP XYP 5.26316
43 2O1O RIS 5.26316
44 1RL4 BRR 5.26316
45 1G5N UAP SGN IDS SGN 5.26316
46 2BHW NEX 5.26316
47 4JZB P2H 5.26316
48 4JE7 BB2 5.26316
49 5N5U AMP 5.26316
50 5V03 658 5.36913
51 3GQK ATP 5.52147
52 5ZDK ATP 5.84795
53 3WQM B29 5.84795
54 1T0S BML 5.84795
55 3C8Z 5CA 5.84795
56 4K7O EKZ 5.95238
57 5OCA 9QZ 6.34921
58 3R9V DXC 6.43275
59 1DTL BEP 6.8323
60 4QGE 35O 7.01754
61 1XMY ROL 7.01754
62 3COW 52H 7.30897
63 1UXX XYP XYP XYP XYP XYP 7.5188
64 2QTR NXX 7.60234
65 2H29 DND 7.60234
66 5DK4 ATP 7.60234
67 5DK4 5BX 7.60234
68 4P8O 883 7.60234
69 1KQN NAD 8.18713
70 1NUS NMN 8.18713
71 1NUS APC 8.18713
72 2RI1 GLP 8.18713
73 3VV5 SLZ 9.35672
74 3W68 PBU 9.35672
75 3HQ9 OXL 9.94152
76 5W3X ACO 9.94152
77 5LLT DND 10.5263
78 1NF8 BOG 10.5263
79 5J32 IPM 11.1111
80 3KP6 SAL 11.2583
81 6D59 FVJ 11.3772
82 2X3F APC 12.8655
83 4MGA 27L 12.8655
84 5WQJ 7N3 14.0351
85 2BCG GER 14.6199
86 2X0K PPV 15.2047
87 1LSH PLD 15.7895
88 6BMN PAP 16.2712
89 5CHR 4NC 16.7883
90 4YP5 NAP 16.9591
91 4OGQ 7PH 17.5
92 1HBK MYR 17.9775
93 1F9A ATP 18.4524
94 1YUM NCN 20.4678
95 3MA0 XYP 20.4678
96 5IM3 DTP 20.4678
97 3ZIU LSS 22.2222
98 3KFL ME8 24.5614
99 3AFH GSU 26.3158
100 1N1D C2G 27.1318
101 1K4M NAD 46.7836
Pocket No.: 2; Query (leader) PDB : 3ND6; Ligand: ATP; Similar sites found with APoc: 31
This union binding pocket(no: 2) in the query (biounit: 3nd6.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
1 2QQD AG2 None
2 2D4N DUP 1.97368
3 4ETZ C2E 2.6936
4 5WHU SIA GAL GLC 3.3557
5 1VHZ APR 4.09357
6 5OLK DTP 4.09357
7 4IN9 SER TRP PHE PRO 4.21687
8 5V3Y 5V8 4.67836
9 6E1Q CFA 5.26316
10 5LWY OLB 5.26316
11 4B2D SER 5.26316
12 5N26 CPT 5.26316
13 2WNF CG3 A2G GAL 5.84795
14 3K56 IS3 5.84795
15 1QGQ UDP 6.43275
16 4LO2 GAL BGC 6.43275
17 2B4B COA 6.43275
18 2YLN CYS 7.60234
19 1S9D AFB 7.60234
20 1QO0 BMD 8.18713
21 2QJY UQ2 9.35672
22 3GCM 5GP 9.7561
23 3U1T MLI 9.94152
24 5W3Y IHP 9.94152
25 5TDF ADE 11.1111
26 6CB2 OLC 11.1111
27 2NUN ADP 11.1111
28 1UO4 PIH 11.7647
29 5L6G XYP 16.3743
30 6EYT NDG 16.9591
31 1K4M CIT 46.7836
Pocket No.: 3; Query (leader) PDB : 3ND6; Ligand: ATP; Similar sites found with APoc: 18
This union binding pocket(no: 3) in the query (biounit: 3nd6.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
1 3AIH BMA MAN MAN 1.6129
2 5H4S RAM 1.75439
3 1VR0 3SL 2.33918
4 3X01 AMP 2.92398
5 2V0C LEU LMS 2.92398
6 5WHU SIA 3.3557
7 2PID YSA 3.50877
8 2VCN ISZ 4.09357
9 4OKD GLC GLC GLC 4.09357
10 1M1B SPV 4.67836
11 2JFN UMA 4.91228
12 3RS8 ALA TRP LEU PHE GLU ALA 5.84795
13 1GPM AMP 7.60234
14 1YQC GLV 10
15 2XRH NIO 11
16 5XET ME8 11.1111
17 2X1L ADN 11.6959
18 5TV6 PML 14.0351
Pocket No.: 4; Query (leader) PDB : 3ND6; Ligand: ATP; Similar sites found with APoc: 52
This union binding pocket(no: 4) in the query (biounit: 3nd6.bio1) has 30 residues
No: Leader PDB Ligand Sequence Similarity
1 4V1F BQ1 None
2 5C1M OLC None
3 5TVI MYR None
4 6FHQ DE5 None
5 5WSY 7UC None
6 5MTE BB2 None
7 4DW4 U5P None
8 2CIX CEJ 1.75439
9 1XQP 8HG 1.75439
10 4UCC ZKW 2.92398
11 1XZ3 ICF 2.92398
12 2B6N ALA PRO THR 3.59712
13 1MID LAP 4.3956
14 4MRP GSH 4.67836
15 3G5K BB2 4.67836
16 3AQT RCO 4.67836
17 3T03 3T0 4.67836
18 3RMK BML 5.26316
19 4J24 EST 5.26316
20 6BR9 PGV 5.26316
21 4J26 EST 5.26316
22 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 5.84795
23 5C9J DAO 6.06061
24 2RH1 CLR 6.43275
25 1M48 FRG 6.76692
26 5VRH OLB 7.01754
27 2D5X L35 7.60234
28 4XWT U5P 7.60234
29 4V2O CLQ 8.53659
30 1XVB 3BR 9.94152
31 5W3X IHP 9.94152
32 1TV5 N8E 10.5263
33 3GF2 SAL 10.9589
34 5FUS DAO 11.1111
35 3RV5 DXC 11.236
36 6BVM EBV 11.3772
37 6BVK EAV 11.3772
38 6BVJ EAS 11.3772
39 3FAL REA 11.6959
40 1UO5 PIH 11.7647
41 5WGQ EST 12.2807
42 5DX3 EST 12.2807
43 4MG9 27K 12.8655
44 5DXG EST 12.8655
45 4TV1 36M 12.8655
46 5DXE EST 12.8655
47 2UW1 GVM 12.8655
48 2WOR 2AN 17
49 5ZCO PEK 17.3469
50 5Z84 CHD 17.3469
51 1ZEI CRS 22.6415
52 4F4S EFO 23.6842
Pocket No.: 5; Query (leader) PDB : 3ND6; Ligand: ATP; Similar sites found with APoc: 10
This union binding pocket(no: 5) in the query (biounit: 3nd6.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 3IWD M2T None
2 5WHT SIA GAL GLC 3.62319
3 1B74 DGN 4.67836
4 4Q0A 4OA 4.67836
5 1A05 IPM 4.67836
6 3LDW IPE 5.26316
7 4G05 JZ3 6.43275
8 3PN1 IVH 6.60377
9 1RZM E4P 9.94152
10 2QQC AG2 13.2075
Pocket No.: 6; Query (leader) PDB : 3ND6; Ligand: ATP; Similar sites found with APoc: 8
This union binding pocket(no: 6) in the query (biounit: 3nd6.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
1 5U97 PIT 3.50877
2 1U26 IHS 4.09357
3 4IF4 BEF 5.26316
4 5ZZB LAB 5.88235
5 1ZGS XMM 8.18713
6 4IA6 EIC 9.35672
7 3R9C ECL 9.94152
8 4XZ3 ACP 10.5263
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