Receptor
PDB id Resolution Class Description Source Keywords
1XNG 1.7 Å EC: 6.3.1.5 CRYSTAL STRUCTURE OF NH3-DEPENDENT NAD+ SYNTHETASE FROM HELICOBACTER PYLORI HELICOBACTER PYLORI NH3-DEPENDENT NAD+ SYNTHETASE HELICOBACTER PYLORI AMIDOTRANSFERASE LIGASE
Ref.: CRYSTAL STRUCTURE OF NH3-DEPENDENT NAD+ SYNTHETASE FROM HELICOBACTER PYLORI PROTEINS V. 58 985 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ATP A:303;
B:304;
Valid;
Valid;
none;
none;
submit data
507.181 C10 H16 N5 O13 P3 c1nc(...
DND A:301;
B:302;
Valid;
Valid;
none;
none;
submit data
665.418 C21 H27 N6 O15 P2 c1cc(...
MG A:309;
B:308;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1XNG 1.7 Å EC: 6.3.1.5 CRYSTAL STRUCTURE OF NH3-DEPENDENT NAD+ SYNTHETASE FROM HELICOBACTER PYLORI HELICOBACTER PYLORI NH3-DEPENDENT NAD+ SYNTHETASE HELICOBACTER PYLORI AMIDOTRANSFERASE LIGASE
Ref.: CRYSTAL STRUCTURE OF NH3-DEPENDENT NAD+ SYNTHETASE FROM HELICOBACTER PYLORI PROTEINS V. 58 985 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1XNG - DND C21 H27 N6 O15 P2 c1cc(c[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 1XNG - DND C21 H27 N6 O15 P2 c1cc(c[n+]....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1XNG - DND C21 H27 N6 O15 P2 c1cc(c[n+]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ATP; Similar ligands found: 404
No: Ligand ECFP6 Tc MDL keys Tc
1 ATP 1 1
2 AQP 0.985507 1
3 5FA 0.985507 1
4 B4P 0.927536 0.971831
5 AP5 0.927536 0.971831
6 BA3 0.913043 0.971831
7 ADP 0.9 1
8 A2D 0.884058 0.971831
9 SAP 0.84 0.945946
10 AGS 0.84 0.945946
11 AN2 0.810811 0.985915
12 25L 0.809524 0.985915
13 APR 0.802632 0.971831
14 AR6 0.802632 0.971831
15 M33 0.8 0.958333
16 TAT 0.794872 0.958904
17 ACQ 0.794872 0.972222
18 AD9 0.792208 0.972222
19 ACP 0.789474 0.972222
20 A 0.788732 0.971429
21 AMP 0.788732 0.971429
22 ANP 0.772152 0.972222
23 ADX 0.753247 0.873418
24 CA0 0.753247 0.945205
25 A22 0.746988 0.985915
26 50T 0.74359 0.958333
27 APC 0.734177 0.958904
28 PRX 0.734177 0.893333
29 ABM 0.733333 0.917808
30 ATF 0.731707 0.958904
31 ITT 0.730769 0.943662
32 7D4 0.730769 0.905405
33 ADQ 0.729412 0.945205
34 AMP MG 0.72 0.891892
35 AP2 0.714286 0.958904
36 A12 0.714286 0.958904
37 A1R 0.709302 0.907895
38 SRA 0.706667 0.918919
39 5AL 0.698795 0.931507
40 OAD 0.693182 0.945205
41 ADP MG 0.6875 0.905405
42 AU1 0.6875 0.972222
43 SRP 0.682353 0.906667
44 G5P 0.680851 0.921053
45 BEF ADP 0.679012 0.881579
46 ADP BEF 0.679012 0.881579
47 25A 0.678161 0.971831
48 3OD 0.677778 0.945205
49 4AD 0.670455 0.92
50 G3A 0.670213 0.921053
51 00A 0.662921 0.883117
52 ADV 0.662651 0.932432
53 ADP PO3 0.662651 0.943662
54 RBY 0.662651 0.932432
55 BIS 0.659341 0.933333
56 5SV 0.659091 0.848101
57 8QN 0.659091 0.931507
58 OOB 0.659091 0.931507
59 GTA 0.65625 0.886076
60 ATP MG 0.654762 0.905405
61 UP5 0.653061 0.92
62 AMO 0.651685 0.932432
63 PAJ 0.651685 0.884615
64 2A5 0.650602 0.918919
65 MAP 0.647727 0.945946
66 3AT 0.647059 0.971831
67 AHX 0.644444 0.896104
68 DLL 0.644444 0.931507
69 PAP 0.642857 0.985714
70 ATR 0.642857 0.971429
71 PTJ 0.641304 0.896104
72 7D3 0.6375 0.905405
73 3UK 0.637363 0.918919
74 SON 0.634146 0.932432
75 A4P 0.633663 0.843373
76 ALF ADP 0.632184 0.87013
77 ADP ALF 0.632184 0.87013
78 LAD 0.630435 0.860759
79 WAQ 0.630435 0.883117
80 PR8 0.630435 0.85
81 AFH 0.628866 0.884615
82 DTP 0.627907 0.905405
83 GAP 0.627907 0.893333
84 ANP MG 0.625 0.894737
85 VO4 ADP 0.625 0.931507
86 ADP VO4 0.625 0.931507
87 1ZZ 0.623656 0.839506
88 TXA 0.623656 0.932432
89 FYA 0.623656 0.905405
90 ME8 0.623656 0.839506
91 NB8 0.623656 0.896104
92 T5A 0.621359 0.841463
93 RAB 0.619718 0.84507
94 ADN 0.619718 0.84507
95 XYA 0.619718 0.84507
96 9SN 0.610526 0.871795
97 48N 0.61 0.896104
98 AP0 0.607843 0.896104
99 FA5 0.604167 0.906667
100 YAP 0.604167 0.894737
101 TXD 0.60396 0.907895
102 6V0 0.60396 0.896104
103 NXX 0.60396 0.932432
104 NAI 0.60396 0.907895
105 DND 0.60396 0.932432
106 NAX 0.60396 0.873418
107 ADP BMA 0.602151 0.918919
108 A2R 0.6 0.985915
109 OMR 0.598039 0.851852
110 TXE 0.598039 0.907895
111 XAH 0.597938 0.839506
112 DAL AMP 0.593407 0.905405
113 7DT 0.593023 0.985714
114 AOC 0.592593 0.821918
115 4UV 0.591837 0.894737
116 DDS 0.590909 0.878378
117 139 0.590476 0.873418
118 CNA 0.584906 0.932432
119 6AD 0.58427 0.909091
120 5AS 0.583333 0.77907
121 5N5 0.581081 0.819444
122 4UU 0.58 0.894737
123 4TC 0.576923 0.896104
124 ADJ 0.575472 0.851852
125 5CD 0.573333 0.805556
126 A4D 0.573333 0.819444
127 RGT 0.571429 0.958904
128 A3P 0.571429 0.971429
129 7D5 0.56962 0.878378
130 LAQ 0.568627 0.839506
131 YLP 0.563107 0.819277
132 A A 0.5625 0.944444
133 UPA 0.561905 0.907895
134 AV2 0.56044 0.917808
135 COD 0.559633 0.811765
136 4UW 0.557692 0.860759
137 JB6 0.556701 0.883117
138 3AM 0.555556 0.929577
139 ATP A A A 0.555556 0.930556
140 A2P 0.552941 0.957143
141 TYM 0.552381 0.906667
142 NA7 0.552083 0.958904
143 EP4 0.551282 0.753247
144 MYR AMP 0.55102 0.817073
145 PPS 0.549451 0.873418
146 YLB 0.54717 0.819277
147 YLC 0.54717 0.839506
148 NAD 0.545455 0.931507
149 DAT 0.545455 0.905405
150 G5A 0.544444 0.77907
151 M2T 0.544304 0.734177
152 DTA 0.544304 0.786667
153 3DH 0.54321 0.773333
154 128 0.542857 0.776471
155 AHZ 0.538462 0.817073
156 SSA 0.537634 0.8
157 GTP 0.537634 0.92
158 MTA 0.5375 0.773333
159 IOT 0.537037 0.831325
160 A3D 0.535714 0.918919
161 TYR AMP 0.534653 0.881579
162 AR6 AR6 0.533981 0.917808
163 7MD 0.533981 0.8625
164 YLA 0.53211 0.819277
165 AMP DBH 0.529412 0.893333
166 IMO 0.529412 0.929577
167 TAD 0.528846 0.884615
168 AYB 0.527273 0.809524
169 A5A 0.526882 0.807229
170 TSB 0.526316 0.819277
171 EAD 0.525424 0.873418
172 2AM 0.52439 0.943662
173 6RE 0.52381 0.759494
174 7DD 0.522727 0.985714
175 V3L 0.521739 0.971831
176 AVV 0.520833 0.896104
177 BTX 0.517857 0.841463
178 NAE 0.517241 0.894737
179 54H 0.515789 0.788235
180 VMS 0.515789 0.788235
181 52H 0.515789 0.77907
182 NSS 0.515464 0.8
183 BT5 0.513274 0.831325
184 NAQ 0.512821 0.871795
185 ZAS 0.511905 0.766234
186 A3N 0.511628 0.786667
187 J7C 0.511628 0.769231
188 5X8 0.511111 0.763158
189 53H 0.510417 0.77907
190 5CA 0.510417 0.8
191 ARU 0.510204 0.860759
192 ARG AMP 0.509434 0.829268
193 AF3 ADP 3PG 0.509259 0.8375
194 LA8 ALF 3PG 0.509259 0.8375
195 ALF ADP 3PG 0.509259 0.8375
196 ZID 0.508475 0.918919
197 P1H 0.508197 0.851852
198 OVE 0.505882 0.905405
199 S4M 0.505747 0.666667
200 LPA AMP 0.504673 0.817073
201 7MC 0.504587 0.841463
202 DZD 0.5 0.884615
203 LSS 0.5 0.761364
204 DSZ 0.5 0.8
205 P5A 0.5 0.744444
206 DSH 0.5 0.725
207 FB0 0.5 0.804598
208 MAO 0.5 0.759036
209 NDE 0.495935 0.932432
210 N0B 0.495798 0.819277
211 M24 0.495726 0.85
212 YLY 0.495726 0.809524
213 NJP 0.495575 0.945946
214 NVA LMS 0.494949 0.761364
215 MGP 0.494737 0.884615
216 6C6 0.494624 0.881579
217 NAJ PZO 0.491379 0.848101
218 0WD 0.491228 0.921053
219 LEU LMS 0.49 0.761364
220 6G0 0.489583 0.884615
221 GJV 0.488636 0.75
222 6FA 0.488189 0.841463
223 5AD 0.486842 0.746479
224 GSU 0.485149 0.77907
225 KAA 0.485149 0.752809
226 71V 0.483146 0.907895
227 NEC 0.482759 0.746667
228 A3G 0.482759 0.8
229 NAD IBO 0.482456 0.87013
230 ODP 0.482456 0.909091
231 FAS 0.48062 0.851852
232 FAD 0.48062 0.851852
233 7D7 0.480519 0.743243
234 FDA 0.480315 0.833333
235 N6P 0.48 0.915493
236 2SA 0.479167 0.932432
237 GP3 0.478723 0.921053
238 4TA 0.478261 0.807229
239 G A A A 0.478261 0.871795
240 SFG 0.478261 0.75
241 NPW 0.477876 0.886076
242 NDP 0.477876 0.921053
243 NDC 0.47619 0.871795
244 YSA 0.47619 0.77907
245 MGO 0.474227 0.860759
246 6IA 0.473684 0.8375
247 TXP 0.473684 0.921053
248 GDP 0.473684 0.92
249 NZQ 0.473684 0.909091
250 A7D 0.472527 0.776316
251 SFD 0.469231 0.734043
252 ZDA 0.468085 0.864865
253 SA8 0.468085 0.707317
254 A5D 0.468085 0.786667
255 12D 0.46789 0.785714
256 PGS 0.467391 0.883117
257 MHZ 0.467391 0.697674
258 62F 0.466165 0.8625
259 DA 0.465909 0.878378
260 D5M 0.465909 0.878378
261 GGZ 0.464646 0.825
262 SAH 0.463158 0.74359
263 SAI 0.463158 0.734177
264 NAJ PYZ 0.46281 0.85
265 FAY 0.462687 0.8625
266 Y3J 0.4625 0.726027
267 PO4 PO4 A A A A PO4 0.460784 0.902778
268 AAM 0.460674 0.971429
269 RFL 0.459259 0.821429
270 SMM 0.459184 0.686047
271 AMZ 0.458824 0.916667
272 C2R 0.458824 0.90411
273 SAM 0.458333 0.690476
274 A3S 0.456522 0.810811
275 FNK 0.455224 0.804598
276 7C5 0.453704 0.818182
277 AAT 0.453608 0.707317
278 EEM 0.453608 0.690476
279 XNP 0.452991 0.873418
280 AIR 0.451219 0.901408
281 62X 0.45098 0.666667
282 GSP 0.45 0.873418
283 ETB 0.45 0.833333
284 DCA 0.45 0.823529
285 U A G G 0.449153 0.883117
286 NIA 0.448276 0.822785
287 AMP NAD 0.447154 0.881579
288 A3T 0.446809 0.821918
289 K15 0.446602 0.682353
290 A A A 0.446602 0.905405
291 PUA 0.446281 0.884615
292 6K6 0.445545 0.930556
293 GEK 0.445545 0.7375
294 4YB 0.445455 0.761364
295 S7M 0.444444 0.690476
296 DG1 0.443548 0.921053
297 1DG 0.443548 0.921053
298 Z5A 0.443548 0.77907
299 COA 0.442623 0.823529
300 0T1 0.442623 0.823529
301 WSA 0.442478 0.788235
302 8BR 0.43956 0.906667
303 101 0.438202 0.878378
304 IDP 0.4375 0.918919
305 NAP 0.435484 0.945205
306 APU 0.434783 0.894737
307 A U 0.434783 0.87013
308 7RP 0.433333 0.928571
309 A6D 0.432692 0.722892
310 CAO 0.432 0.795455
311 AMX 0.432 0.833333
312 COS 0.432 0.804598
313 TAP 0.432 0.907895
314 J7V 0.432 0.833333
315 30N 0.432 0.752688
316 V1N 0.431193 0.917808
317 649 0.429825 0.744444
318 P5F 0.429577 0.823529
319 NA0 0.428571 0.932432
320 CMX 0.428571 0.823529
321 7RA 0.428571 0.957747
322 SCO 0.428571 0.823529
323 0UM 0.427184 0.698795
324 GAV 0.427184 0.884615
325 ACK 0.426966 0.861111
326 1RB 0.426966 0.885714
327 QQY 0.426966 0.815789
328 GCP 0.425743 0.896104
329 G1R 0.425743 0.907895
330 FAM 0.425197 0.804598
331 FCX 0.425197 0.795455
332 ACO 0.425197 0.795455
333 GNH 0.424242 0.907895
334 F2N 0.423611 0.813953
335 GDC 0.422018 0.884615
336 GDD 0.422018 0.884615
337 GKE 0.422018 0.884615
338 HAX 0.421875 0.804598
339 3AD 0.421687 0.805556
340 GNP 0.421569 0.896104
341 FA9 0.42069 0.864198
342 KB1 0.420561 0.698795
343 TM1 0.420561 0.77381
344 H6Y 0.42 0.945205
345 2MC 0.419847 0.769231
346 3KK 0.418605 0.804598
347 FYN 0.418605 0.823529
348 S8M 0.417476 0.759494
349 2VA 0.416667 0.8
350 NHD 0.416667 0.905405
351 26A 0.416667 0.763158
352 QQX 0.41573 0.805195
353 SOP 0.415385 0.804598
354 OXK 0.415385 0.804598
355 COK 0.415385 0.804598
356 MCD 0.415385 0.804598
357 CA6 0.415385 0.729167
358 YE1 0.413534 0.813953
359 FAI 0.413043 0.916667
360 AS 0.413043 0.833333
361 RMB 0.413043 0.873239
362 1VU 0.412214 0.795455
363 CO6 0.412214 0.804598
364 CMC 0.412214 0.804598
365 NMX 0.412214 0.76087
366 SXZ 0.411215 0.710843
367 ANZ 0.410714 0.8
368 SCA 0.410448 0.804598
369 PLP AAD 0.409836 0.741573
370 SCD 0.409091 0.823529
371 CAJ 0.409091 0.804598
372 NAD BBN 0.408759 0.841463
373 NVA 2AD 0.408163 0.74359
374 D3Y 0.407767 0.789474
375 CC5 0.407407 0.816901
376 U G A 0.407407 0.839506
377 KH3 0.40708 0.674419
378 SLU 0.406504 0.770115
379 G 0.40625 0.906667
380 5GP 0.40625 0.906667
381 BCO 0.406015 0.804598
382 IVC 0.406015 0.813953
383 A1S 0.406015 0.804598
384 MLC 0.406015 0.804598
385 3HC 0.406015 0.813953
386 1HE 0.406015 0.786517
387 GTG 0.405405 0.886076
388 NMN AMP PO4 0.404959 0.87013
389 3D1 0.404762 0.773333
390 3L1 0.404762 0.773333
391 CMP 0.404255 0.901408
392 2BA 0.404255 0.915493
393 SO8 0.40404 0.789474
394 VRT 0.40404 0.769231
395 MCA 0.402985 0.795455
396 CAA 0.402985 0.813953
397 COO 0.402985 0.804598
398 NAD CJ3 0.402878 0.811765
399 G2R 0.401869 0.884615
400 3NZ 0.401869 0.782051
401 ZZB 0.4 0.77381
402 MC4 0.4 0.76087
403 2FA 0.4 0.813333
404 2CP 0.4 0.795455
Ligand no: 2; Ligand: DND; Similar ligands found: 260
No: Ligand ECFP6 Tc MDL keys Tc
1 NXX 1 1
2 DND 1 1
3 NAD 0.765766 0.972603
4 A3D 0.752212 0.959459
5 NAD IBO 0.695652 0.909091
6 NAJ PYZ 0.663934 0.8875
7 A2D 0.659574 0.958904
8 AMP NAD 0.645161 0.946667
9 CNA 0.644068 0.972973
10 BA3 0.628866 0.958904
11 AP5 0.622449 0.958904
12 B4P 0.622449 0.958904
13 NHD 0.619835 0.945946
14 NAP 0.619048 0.959459
15 ZID 0.619048 0.959459
16 AR6 0.613861 0.958904
17 APR 0.613861 0.958904
18 NAQ 0.611111 0.910256
19 NA0 0.609375 0.946667
20 ADP 0.606061 0.932432
21 ATP 0.60396 0.932432
22 NAE 0.603175 0.934211
23 TAP 0.601562 0.897436
24 AN2 0.6 0.92
25 AQP 0.598039 0.932432
26 5FA 0.598039 0.932432
27 NFD 0.596774 0.922078
28 8ID 0.596639 0.923077
29 CA0 0.594059 0.959459
30 M33 0.594059 0.92
31 OOB 0.592593 0.972603
32 AD9 0.592233 0.907895
33 SAP 0.592233 0.884615
34 AGS 0.592233 0.884615
35 N01 0.592 0.945946
36 OAD 0.590909 0.959459
37 ACP 0.588235 0.907895
38 A1R 0.587156 0.873418
39 3OD 0.580357 0.959459
40 NDE 0.578947 0.946667
41 WAQ 0.571429 0.897436
42 NDC 0.57037 0.910256
43 A22 0.568807 0.945946
44 00A 0.567568 0.922078
45 DLL 0.567568 0.972603
46 ACQ 0.566038 0.907895
47 ANP 0.566038 0.907895
48 ADX 0.563107 0.841463
49 A 0.561224 0.905405
50 AMP 0.561224 0.905405
51 NGD 0.560976 0.923077
52 5AL 0.560748 0.945946
53 NJP 0.56 0.96
54 ABM 0.56 0.881579
55 50T 0.557692 0.894737
56 ATF 0.555556 0.896104
57 PRX 0.552381 0.858974
58 NAJ 0.552 0.945946
59 SRP 0.550459 0.921053
60 3UK 0.548673 0.959459
61 ADQ 0.544643 0.959459
62 AMO 0.544643 0.946667
63 4AD 0.544643 0.96
64 9SN 0.543103 0.910256
65 NAX 0.540984 0.8875
66 FYA 0.53913 0.894737
67 1ZZ 0.53913 0.853659
68 FA5 0.538462 0.946667
69 SON 0.538462 0.921053
70 GAP 0.537037 0.933333
71 TXE 0.536585 0.922078
72 8QN 0.535714 0.945946
73 AMP MG 0.534653 0.881579
74 AP2 0.533981 0.896104
75 A12 0.533981 0.896104
76 48N 0.532787 0.910256
77 PAJ 0.530973 0.898734
78 PR8 0.530435 0.864198
79 NCN 0.53 0.808219
80 NAI 0.528455 0.922078
81 TXD 0.528455 0.922078
82 6V0 0.528455 0.910256
83 AHX 0.526316 0.886076
84 TXA 0.525862 0.946667
85 BIS 0.525862 0.873418
86 YAP 0.525424 0.934211
87 G3A 0.525 0.910256
88 SRA 0.524752 0.858974
89 OMR 0.524194 0.865854
90 APC 0.523364 0.896104
91 TAT 0.522936 0.896104
92 25L 0.521368 0.945946
93 G5P 0.520661 0.910256
94 ADP MG 0.518868 0.894737
95 AU1 0.518868 0.907895
96 LAD 0.517241 0.875
97 BEF ADP 0.514019 0.871795
98 ADP BEF 0.514019 0.871795
99 NB8 0.512821 0.910256
100 ME8 0.512821 0.853659
101 PTJ 0.512821 0.886076
102 LAQ 0.512195 0.853659
103 25A 0.508772 0.932432
104 5SV 0.508772 0.817073
105 139 0.507812 0.8875
106 ADP PO3 0.504587 0.931507
107 ADV 0.504587 0.921053
108 RBY 0.504587 0.921053
109 GTA 0.504065 0.9
110 NDO 0.503704 0.933333
111 EAD 0.50365 0.8875
112 NAD BBN 0.5 0.878049
113 IOT 0.5 0.823529
114 TYM 0.5 0.946667
115 ADP ALF 0.5 0.860759
116 ALF ADP 0.5 0.860759
117 ATP MG 0.5 0.894737
118 T5A 0.496124 0.855422
119 AP0 0.496063 0.886076
120 4UU 0.495935 0.934211
121 AFH 0.495935 0.898734
122 XAH 0.495868 0.831325
123 ANP MG 0.495575 0.884615
124 NAD CJ3 0.493243 0.847059
125 A4P 0.492188 0.835294
126 UP5 0.492063 0.934211
127 4UV 0.491803 0.934211
128 DAL AMP 0.486957 0.945946
129 MAP 0.486957 0.884615
130 COD 0.484848 0.804598
131 ADJ 0.484615 0.865854
132 VO4 ADP 0.482456 0.92
133 ADP VO4 0.482456 0.92
134 DZD 0.481203 0.898734
135 BT5 0.481203 0.823529
136 4UW 0.480315 0.898734
137 M24 0.477941 0.8875
138 AOC 0.47619 0.789474
139 4TC 0.472868 0.910256
140 YLP 0.472441 0.833333
141 7MD 0.472 0.876543
142 TYR AMP 0.471545 0.946667
143 NBP 0.471429 0.898734
144 MYR AMP 0.471074 0.853659
145 P1H 0.468531 0.865854
146 AMP DBH 0.467742 0.933333
147 A A 0.466667 0.932432
148 ODP 0.466165 0.923077
149 DSZ 0.466102 0.813953
150 A2R 0.465517 0.945946
151 NAD NDT 0.464968 0.739583
152 PAP 0.464286 0.918919
153 ATP A A A 0.463415 0.945205
154 NAJ PZO 0.463235 0.886076
155 YLA 0.462121 0.833333
156 YLC 0.461538 0.853659
157 NMN 0.461538 0.851351
158 YLB 0.461538 0.833333
159 G5A 0.460177 0.772727
160 5AS 0.458716 0.752809
161 NA7 0.458333 0.896104
162 ADP BMA 0.458333 0.959459
163 AVV 0.457627 0.8625
164 2A5 0.455357 0.858974
165 P5A 0.454545 0.73913
166 VMS 0.452991 0.781609
167 54H 0.452991 0.781609
168 ATR 0.451327 0.905405
169 7D4 0.45045 0.846154
170 ITT 0.45045 0.88
171 UPA 0.450382 0.922078
172 LPA AMP 0.449612 0.853659
173 TSB 0.449153 0.811765
174 A5A 0.448276 0.8
175 AYB 0.447761 0.823529
176 NAD TDB 0.447205 0.68932
177 TAD 0.445312 0.875
178 SSA 0.444444 0.793103
179 6FA 0.442953 0.855422
180 LA8 ALF 3PG 0.442748 0.875
181 ALF ADP 3PG 0.442748 0.875
182 GSU 0.442623 0.793103
183 FB0 0.442177 0.777778
184 ARG AMP 0.44186 0.843373
185 AHZ 0.44186 0.853659
186 NSS 0.441667 0.813953
187 0WD 0.441176 0.910256
188 BTX 0.441176 0.811765
189 52H 0.440678 0.772727
190 7D3 0.440367 0.846154
191 5CD 0.44 0.773333
192 6AD 0.439655 0.851852
193 7MC 0.439394 0.855422
194 JB6 0.439024 0.873418
195 RAB 0.438776 0.810811
196 XYA 0.438776 0.810811
197 ADN 0.438776 0.810811
198 53H 0.436975 0.772727
199 5CA 0.436975 0.793103
200 N0B 0.43662 0.855422
201 YSA 0.436508 0.793103
202 A3P 0.436364 0.905405
203 FDA 0.436242 0.825581
204 YLY 0.435714 0.823529
205 4YB 0.434109 0.795455
206 AF3 ADP 3PG 0.431818 0.875
207 3AT 0.431034 0.906667
208 5N5 0.43 0.786667
209 LSS 0.429752 0.755556
210 NPW 0.42963 0.876543
211 FAD 0.427632 0.865854
212 SFD 0.427632 0.747368
213 FAS 0.427632 0.865854
214 PPS 0.42735 0.819277
215 EP4 0.427184 0.725
216 AR6 AR6 0.426357 0.958904
217 NVA LMS 0.42623 0.775281
218 FNK 0.425806 0.797753
219 A4D 0.425743 0.786667
220 DTA 0.423077 0.779221
221 LEU LMS 0.422764 0.775281
222 P5F 0.42236 0.858824
223 649 0.421053 0.758242
224 WSA 0.421053 0.802326
225 5X8 0.421053 0.779221
226 3AM 0.420561 0.866667
227 4TA 0.42029 0.843373
228 G A A A 0.42029 0.886076
229 KAA 0.419355 0.747253
230 NDP 0.419118 0.910256
231 MTA 0.419048 0.74359
232 U A G G 0.417266 0.897436
233 F2N 0.417178 0.806818
234 NZQ 0.416058 0.898734
235 TXP 0.416058 0.910256
236 7D5 0.415094 0.820513
237 ARU 0.414634 0.807229
238 6RE 0.412844 0.731707
239 AV2 0.411765 0.857143
240 A A A 0.41129 0.894737
241 3DH 0.411215 0.74359
242 A2P 0.410714 0.891892
243 M2T 0.409524 0.728395
244 SFG 0.408696 0.766234
245 62F 0.407643 0.853659
246 DTP 0.40678 0.846154
247 FA9 0.406061 0.855422
248 PUA 0.405594 0.875
249 J7C 0.405405 0.719512
250 A3N 0.405405 0.75641
251 FAY 0.405063 0.876543
252 DG1 0.40411 0.910256
253 1DG 0.40411 0.910256
254 ZAS 0.40367 0.759494
255 RFL 0.402516 0.835294
256 SA8 0.401709 0.722892
257 A5D 0.401709 0.779221
258 CMX 0.401361 0.816092
259 SCO 0.401361 0.816092
260 XNP 0.4 0.864198
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1XNG; Ligand: DND; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1xng.bio1) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1XNG; 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: 1xng.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1XNG; Ligand: DND; Similar sites found: 10
This union binding pocket(no: 3) in the query (biounit: 1xng.bio1) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1IH7 GMP 0.001549 0.46898 1.86567
2 4UCC ZKW 0.03701 0.40208 2.14592
3 3R7F CP 0.03677 0.40212 3.73134
4 4DZ1 DAL 0.01888 0.42176 5.79151
5 1XVB BHL BHL 0.02696 0.40826 6.34328
6 3WSG CIT 0.02826 0.40832 7.08955
7 4M6T SAM 0.04934 0.40101 7.65027
8 3LE7 ADE 0.03748 0.40337 9.96169
9 3DLA NXX 0.00004201 0.49561 27.9851
10 1KQP ADJ 0.0000000001838 0.72685 38.806
Pocket No.: 4; Query (leader) PDB : 1XNG; Ligand: ATP; Similar sites found: 61
This union binding pocket(no: 4) in the query (biounit: 1xng.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1GXU 2HP 0.02913 0.40618 None
2 4YNU LGC 0.02402 0.40836 1.86567
3 4YNU FAD 0.02776 0.40219 1.86567
4 3G6K FAD 0.0005491 0.46866 2.23881
5 3G6K POP 0.0005989 0.46405 2.23881
6 3LRE ADP 0.02699 0.40371 2.23881
7 1G6H ADP 0.01085 0.4158 2.33463
8 2J9D ADP 0.007981 0.40301 2.52101
9 2AWN ADP 0.002543 0.45362 2.98507
10 3B9Q MLI 0.009273 0.41666 2.98507
11 2VBF TPP 0.01183 0.40416 2.98507
12 4MP8 NAD 0.01965 0.40304 2.98507
13 5MX4 HPA 0.003302 0.44703 3.00429
14 2G30 ALA ALA PHE 0.01154 0.40176 3.10078
15 4L2I NAD 0.003771 0.44345 3.35821
16 4L2I FAD 0.006391 0.42359 3.35821
17 4KBA 1QM 0.01174 0.41278 3.35821
18 4AG5 ADP 0.02363 0.40407 3.35821
19 5GT9 NAP 0.009991 0.41001 3.42205
20 1K97 ASP 0.0005405 0.47553 3.73134
21 1K97 CIR 0.0005405 0.47553 3.73134
22 1D8C GLV 0.01689 0.43006 3.73134
23 1P7T PYR 0.03171 0.4091 3.73134
24 1GPE FAD 0.02149 0.40834 3.73134
25 4DFU QUE 0.02366 0.40177 3.73134
26 2I0D MUT 0.04166 0.40453 4.0404
27 2VOH CIT 0.01338 0.42657 4.4586
28 3CV2 OXL 0.02004 0.4144 4.47761
29 2C5S AMP 0.00009833 0.51555 4.85075
30 2J5V PCA 0.01263 0.41023 4.85075
31 4PPF FLC 0.0254 0.40019 4.85075
32 1JI0 ATP 0.02331 0.4021 5
33 1O97 AMP 0.004019 0.45047 5.30303
34 1O97 FAD 0.004019 0.45047 5.30303
35 3QKT ANP 0.007548 0.4057 5.59701
36 1JJ7 ADP 0.002594 0.44871 5.76923
37 3KTA AP5 0.005133 0.41328 5.78035
38 1J71 THR ILE THR SER 0.01446 0.41487 5.97015
39 2OQ2 A3P 0.0004778 0.4545 6.13027
40 1Q19 APC 0.000004654 0.54188 6.34328
41 3RK1 ATP 0.00003185 0.47893 6.75105
42 3RK0 AMP 0.001005 0.41222 6.75105
43 2IO8 ADP 0.007785 0.40511 7.08955
44 1JGT CMA 0.000048 0.42176 7.46269
45 1JGT APC 0.00004943 0.4168 7.46269
46 1CT9 AMP 0.0008994 0.40643 7.46269
47 3X01 AMP 0.01503 0.41354 7.83582
48 4WHZ 3NL 0.02449 0.40561 8.58209
49 9LDT NAD 0.01584 0.40088 8.58209
50 3B5J 12D 0.01587 0.41066 8.64198
51 5AHW CMP 0.0005754 0.44146 9.52381
52 4L80 OXL 0.01194 0.42241 10.0746
53 5UDS ATP 0.000001598 0.59487 10.8209
54 1LDN NAD 0.01228 0.40593 11.194
55 1MJH ATP 0.001065 0.43937 11.7284
56 3HGM ATP 0.0003361 0.46114 12.9252
57 1JNR FAD 0.02406 0.42204 15.3333
58 3QF7 ANP 0.002721 0.4178 24
59 3DLA NXX 0.000003182 0.58039 27.9851
60 1GPM AMP 0.000001019 0.43253 29.1045
61 1KQP ADJ 0.000000000009129 0.85104 38.806
Feedback