Receptor
PDB id Resolution Class Description Source Keywords
3NEM 1.89 Å EC: 6.1.1.12 ASPARTYL-TRNA SYNTHETASE COMPLEXED WITH ASPARTYL ADENYLATE THERMOCOCCUS KODAKARENSIS ROSSMANN FOLD OB FOLD LIGASE
Ref.: CRYSTAL STRUCTURE OF ASPARTYL-TRNA SYNTHETASE FROM PYROCOCCUS KODAKARAENSIS KOD: ARCHAEON SPECIFICITY CATALYTIC MECHANISM OF ADENYLATE FORMATION EMBO J. V. 17 5227 1998
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AMO A:439;
Valid;
none;
submit data
462.309 C14 H19 N6 O10 P c1nc(...
ATP B:1039;
Valid;
none;
submit data
507.181 C10 H16 N5 O13 P3 c1nc(...
MG B:1040;
B:1041;
B:1042;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3NEM 1.89 Å EC: 6.1.1.12 ASPARTYL-TRNA SYNTHETASE COMPLEXED WITH ASPARTYL ADENYLATE THERMOCOCCUS KODAKARENSIS ROSSMANN FOLD OB FOLD LIGASE
Ref.: CRYSTAL STRUCTURE OF ASPARTYL-TRNA SYNTHETASE FROM PYROCOCCUS KODAKARAENSIS KOD: ARCHAEON SPECIFICITY CATALYTIC MECHANISM OF ADENYLATE FORMATION EMBO J. V. 17 5227 1998
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1B8A - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
2 3NEL - ASP C4 H7 N O4 C([C@@H](C....
3 3NEM - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
70% 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 1B8A - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
2 3NEL - ASP C4 H7 N O4 C([C@@H](C....
3 3NEM - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 2XTI - NB8 C14 H20 N7 O10 P c1nc(c2c(n....
2 2XGT - NSS C14 H21 N8 O8 S c1nc(c2c(n....
3 1B8A - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
4 3NEL - ASP C4 H7 N O4 C([C@@H](C....
5 3NEM - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
6 1X54 - 4AD C14 H21 N7 O9 P c1nc(c2c(n....
7 1X55 - NSS C14 H21 N8 O8 S c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AMO; Similar ligands found: 301
No: Ligand ECFP6 Tc MDL keys Tc
1 AMO 1 1
2 SRP 0.833333 0.972973
3 NB8 0.820225 0.960526
4 5AL 0.788235 0.945946
5 LAD 0.769231 0.923077
6 ME8 0.76087 0.9
7 8QN 0.744444 0.945946
8 CA0 0.738095 0.959459
9 YAP 0.736842 0.96
10 FA5 0.736842 0.972973
11 4AD 0.736264 0.986486
12 PAJ 0.717391 0.898734
13 A2D 0.698795 0.932432
14 PTJ 0.6875 0.886076
15 YLP 0.686275 0.878049
16 AN2 0.686047 0.92
17 BA3 0.682353 0.932432
18 WAQ 0.677083 0.922078
19 AP5 0.674419 0.932432
20 ADP 0.674419 0.932432
21 B4P 0.674419 0.932432
22 TYM 0.673077 0.972973
23 ACP 0.670455 0.933333
24 YLB 0.666667 0.878049
25 YLC 0.666667 0.9
26 A 0.662651 0.905405
27 AMP 0.662651 0.905405
28 M33 0.659091 0.92
29 ADX 0.659091 0.841463
30 DLL 0.65625 0.945946
31 AHX 0.65625 0.935065
32 TXA 0.653061 0.946667
33 OOB 0.652632 0.945946
34 ATP 0.651685 0.932432
35 50T 0.651685 0.894737
36 YLA 0.648148 0.878049
37 PRX 0.644444 0.858974
38 AR6 0.644444 0.958904
39 APR 0.644444 0.958904
40 AQP 0.644444 0.932432
41 5FA 0.644444 0.932432
42 A12 0.643678 0.921053
43 AP2 0.643678 0.921053
44 PR8 0.642857 0.911392
45 AYB 0.642202 0.86747
46 ANP 0.641304 0.907895
47 ABM 0.639535 0.881579
48 00A 0.639175 0.897436
49 SAP 0.637363 0.884615
50 AGS 0.637363 0.884615
51 AD9 0.637363 0.907895
52 3UK 0.632653 0.933333
53 AMP MG 0.627907 0.857143
54 XAH 0.627451 0.876543
55 ACQ 0.623656 0.933333
56 AU1 0.622222 0.907895
57 1ZZ 0.62 0.853659
58 SRA 0.616279 0.858974
59 A1R 0.612245 0.922078
60 SON 0.611111 0.946667
61 ATF 0.610526 0.896104
62 7MD 0.609524 0.924051
63 DAL AMP 0.608247 0.92
64 9SN 0.607843 0.886076
65 GAP 0.606383 0.907895
66 3OD 0.60396 0.959459
67 YLY 0.603448 0.86747
68 OAD 0.6 0.959459
69 DSZ 0.59596 0.857143
70 A22 0.591837 0.92
71 APC 0.591398 0.921053
72 4UV 0.590476 0.909091
73 TAT 0.589474 0.896104
74 FYA 0.588235 0.92
75 N0B 0.588235 0.878049
76 ADP MG 0.586957 0.87013
77 5SV 0.585859 0.817073
78 25A 0.585859 0.906667
79 RBY 0.585106 0.946667
80 ADV 0.585106 0.946667
81 BEF ADP 0.580645 0.848101
82 ADP BEF 0.580645 0.848101
83 ADQ 0.58 0.933333
84 4UU 0.579439 0.909091
85 LAQ 0.568807 0.853659
86 ADP PO3 0.568421 0.905405
87 IOT 0.566372 0.86747
88 48N 0.563636 0.935065
89 ATP MG 0.5625 0.87013
90 MAP 0.56 0.884615
91 4UW 0.558559 0.875
92 BIS 0.557692 0.873418
93 ANP MG 0.555556 0.860759
94 25L 0.552381 0.92
95 TYR AMP 0.551402 0.921053
96 ADP ALF 0.545455 0.8375
97 ALF ADP 0.545455 0.8375
98 NAI 0.544643 0.897436
99 TXD 0.544643 0.897436
100 NXX 0.544643 0.946667
101 DND 0.544643 0.946667
102 G3A 0.541284 0.886076
103 SSA 0.54 0.835294
104 VO4 ADP 0.54 0.894737
105 ADP VO4 0.54 0.894737
106 TXE 0.539823 0.897436
107 MYR AMP 0.537736 0.831325
108 G5P 0.536364 0.886076
109 AFH 0.536364 0.898734
110 7MC 0.535088 0.901235
111 GSU 0.533333 0.835294
112 5X8 0.53125 0.826667
113 6V0 0.530973 0.886076
114 NAX 0.530973 0.911392
115 G5A 0.530612 0.813953
116 A5A 0.53 0.8
117 TSB 0.529412 0.811765
118 5CA 0.529412 0.835294
119 BT5 0.529412 0.86747
120 ARG AMP 0.526786 0.865854
121 OMR 0.526316 0.865854
122 AP0 0.521739 0.8625
123 AOC 0.521739 0.789474
124 EEM 0.52 0.746988
125 54H 0.519608 0.781609
126 VMS 0.519608 0.781609
127 52H 0.519608 0.772727
128 LSS 0.519231 0.795455
129 A A 0.518868 0.881579
130 ADN 0.518072 0.810811
131 RAB 0.518072 0.810811
132 XYA 0.518072 0.810811
133 TAD 0.517857 0.898734
134 GTA 0.517857 0.853659
135 5CD 0.517647 0.773333
136 5AS 0.515789 0.752809
137 SFG 0.515464 0.813333
138 53H 0.514563 0.772727
139 JB6 0.514019 0.873418
140 M24 0.512195 0.864198
141 2A5 0.510204 0.883117
142 ADP BMA 0.509434 0.907895
143 COD 0.508333 0.847059
144 5N5 0.505882 0.786667
145 SA8 0.50505 0.765432
146 PAP 0.50505 0.918919
147 NSS 0.504762 0.835294
148 KAA 0.504673 0.786517
149 AMP DBH 0.504505 0.883117
150 UP5 0.504348 0.909091
151 CNA 0.504202 0.946667
152 AF3 ADP 3PG 0.5 0.875
153 A4D 0.5 0.786667
154 LA8 ALF 3PG 0.5 0.875
155 7D5 0.5 0.820513
156 2SA 0.5 0.972973
157 ALF ADP 3PG 0.5 0.875
158 SAH 0.5 0.805195
159 ATP A A A 0.5 0.893333
160 AHZ 0.5 0.831325
161 SAI 0.5 0.794872
162 NAD 0.495868 0.92
163 T5A 0.495798 0.878049
164 ADJ 0.495798 0.865854
165 UPA 0.495726 0.897436
166 4TC 0.495726 0.910256
167 LPA AMP 0.495652 0.831325
168 YSA 0.495495 0.813953
169 LEU LMS 0.495327 0.775281
170 S7M 0.495146 0.746988
171 SMM 0.495146 0.741176
172 7D3 0.494737 0.846154
173 DTA 0.494382 0.75641
174 A4P 0.491525 0.835294
175 PPS 0.490196 0.819277
176 ATR 0.49 0.905405
177 7D4 0.489796 0.846154
178 A3P 0.489583 0.905405
179 A3D 0.487805 0.907895
180 NVA LMS 0.485981 0.775281
181 BTX 0.483607 0.855422
182 139 0.483333 0.8875
183 EP4 0.483146 0.725
184 SAM 0.480392 0.746988
185 NAQ 0.480315 0.8625
186 6RE 0.478723 0.753086
187 3DH 0.478261 0.74359
188 M2T 0.477778 0.707317
189 P5A 0.477064 0.777778
190 A2R 0.47619 0.945946
191 ITT 0.474747 0.88
192 A2P 0.474227 0.891892
193 3AM 0.473118 0.866667
194 MTA 0.472527 0.74359
195 NAE 0.472441 0.884615
196 AR6 AR6 0.469565 0.906667
197 EAD 0.469231 0.8875
198 J7C 0.46875 0.7625
199 DZD 0.467742 0.898734
200 ZID 0.465116 0.907895
201 A3S 0.464646 0.851351
202 NAD IBO 0.463415 0.860759
203 0UM 0.462963 0.756098
204 WSA 0.462185 0.823529
205 6AD 0.461538 0.851852
206 NAJ PZO 0.460317 0.839506
207 62X 0.458716 0.72093
208 ARU 0.458716 0.807229
209 NDE 0.455224 0.896104
210 P1H 0.455224 0.865854
211 K15 0.454545 0.738095
212 GEK 0.453704 0.797468
213 IMO 0.453608 0.866667
214 A3N 0.453608 0.75641
215 ZAS 0.452632 0.759494
216 V3L 0.451923 0.932432
217 GJV 0.44898 0.743902
218 S4M 0.44898 0.681818
219 FB0 0.448529 0.818182
220 NDC 0.448529 0.8625
221 G A A A 0.448 0.839506
222 0WD 0.448 0.886076
223 2AM 0.446809 0.88
224 MAO 0.444444 0.77381
225 DSH 0.443299 0.740741
226 A3G 0.443299 0.84
227 KB1 0.442478 0.756098
228 FDA 0.442029 0.825581
229 NA7 0.441441 0.921053
230 A3T 0.441176 0.813333
231 4YB 0.440678 0.816092
232 FNK 0.440559 0.818182
233 6IA 0.438095 0.829268
234 3AT 0.438095 0.932432
235 C2R 0.43617 0.893333
236 7C5 0.435897 0.810127
237 A7D 0.435644 0.769231
238 NAJ PYZ 0.435115 0.841463
239 SXZ 0.433628 0.768293
240 U A G G 0.433071 0.85
241 OVE 0.43299 0.846154
242 A5D 0.432692 0.75641
243 AMP NAD 0.431818 0.896104
244 AV2 0.429907 0.857143
245 6C6 0.428571 0.871795
246 NJP 0.428571 0.909091
247 NEC 0.428571 0.74026
248 6FA 0.428571 0.855422
249 AVV 0.427273 0.886076
250 DAT 0.427184 0.894737
251 NIA 0.427083 0.771084
252 5AD 0.425287 0.716216
253 4TA 0.425197 0.843373
254 3NZ 0.424779 0.820513
255 DTP 0.424528 0.894737
256 NDP 0.424 0.886076
257 SFD 0.422535 0.747368
258 FAS 0.422535 0.865854
259 FAD 0.422535 0.865854
260 Y3J 0.422222 0.697368
261 AMZ 0.421053 0.88
262 TXP 0.420635 0.886076
263 NZQ 0.420635 0.898734
264 AAT 0.420561 0.722892
265 7D7 0.420455 0.714286
266 D3Y 0.418182 0.828947
267 GGZ 0.418182 0.795181
268 MHZ 0.417476 0.712644
269 PGS 0.417476 0.82716
270 ODP 0.417323 0.875
271 P5F 0.417219 0.837209
272 KH3 0.416667 0.729412
273 A A A 0.415929 0.894737
274 PO4 PO4 A A A A PO4 0.415929 0.866667
275 71V 0.415842 0.85
276 V1N 0.415254 0.906667
277 VRT 0.415094 0.807692
278 RFL 0.414966 0.835294
279 SCO 0.414815 0.858824
280 CMX 0.414815 0.858824
281 649 0.414634 0.777778
282 6K6 0.414414 0.868421
283 2VA 0.413462 0.792208
284 NPW 0.412698 0.9
285 ETB 0.412214 0.847059
286 DCA 0.412214 0.837209
287 62F 0.410959 0.853659
288 FAY 0.408163 0.876543
289 7DD 0.407767 0.918919
290 0T1 0.406015 0.837209
291 COA 0.406015 0.837209
292 HGG 0.405594 0.83908
293 SLU 0.40458 0.764045
294 A6D 0.403509 0.697674
295 F2N 0.402597 0.827586
296 SO8 0.401869 0.782051
297 S8M 0.401786 0.775
298 FCX 0.40146 0.829545
299 DA 0.4 0.868421
300 D5M 0.4 0.868421
301 CMC 0.4 0.83908
Ligand no: 2; Ligand: ATP; Similar ligands found: 404
No: Ligand ECFP6 Tc MDL keys Tc
1 ATP 1 1
2 AQP 0.985507 1
3 5FA 0.985507 1
4 B4P 0.927536 0.971831
5 AP5 0.927536 0.971831
6 BA3 0.913043 0.971831
7 ADP 0.9 1
8 A2D 0.884058 0.971831
9 SAP 0.84 0.945946
10 AGS 0.84 0.945946
11 AN2 0.810811 0.985915
12 25L 0.809524 0.985915
13 APR 0.802632 0.971831
14 AR6 0.802632 0.971831
15 M33 0.8 0.958333
16 TAT 0.794872 0.958904
17 ACQ 0.794872 0.972222
18 AD9 0.792208 0.972222
19 ACP 0.789474 0.972222
20 A 0.788732 0.971429
21 AMP 0.788732 0.971429
22 ANP 0.772152 0.972222
23 ADX 0.753247 0.873418
24 CA0 0.753247 0.945205
25 A22 0.746988 0.985915
26 50T 0.74359 0.958333
27 APC 0.734177 0.958904
28 PRX 0.734177 0.893333
29 ABM 0.733333 0.917808
30 ATF 0.731707 0.958904
31 ITT 0.730769 0.943662
32 7D4 0.730769 0.905405
33 ADQ 0.729412 0.945205
34 AMP MG 0.72 0.891892
35 AP2 0.714286 0.958904
36 A12 0.714286 0.958904
37 A1R 0.709302 0.907895
38 SRA 0.706667 0.918919
39 5AL 0.698795 0.931507
40 OAD 0.693182 0.945205
41 ADP MG 0.6875 0.905405
42 AU1 0.6875 0.972222
43 SRP 0.682353 0.906667
44 G5P 0.680851 0.921053
45 BEF ADP 0.679012 0.881579
46 ADP BEF 0.679012 0.881579
47 25A 0.678161 0.971831
48 3OD 0.677778 0.945205
49 4AD 0.670455 0.92
50 G3A 0.670213 0.921053
51 00A 0.662921 0.883117
52 ADV 0.662651 0.932432
53 ADP PO3 0.662651 0.943662
54 RBY 0.662651 0.932432
55 BIS 0.659341 0.933333
56 5SV 0.659091 0.848101
57 8QN 0.659091 0.931507
58 OOB 0.659091 0.931507
59 GTA 0.65625 0.886076
60 ATP MG 0.654762 0.905405
61 UP5 0.653061 0.92
62 AMO 0.651685 0.932432
63 PAJ 0.651685 0.884615
64 2A5 0.650602 0.918919
65 MAP 0.647727 0.945946
66 3AT 0.647059 0.971831
67 AHX 0.644444 0.896104
68 DLL 0.644444 0.931507
69 PAP 0.642857 0.985714
70 ATR 0.642857 0.971429
71 PTJ 0.641304 0.896104
72 7D3 0.6375 0.905405
73 3UK 0.637363 0.918919
74 SON 0.634146 0.932432
75 A4P 0.633663 0.843373
76 ALF ADP 0.632184 0.87013
77 ADP ALF 0.632184 0.87013
78 LAD 0.630435 0.860759
79 WAQ 0.630435 0.883117
80 PR8 0.630435 0.85
81 AFH 0.628866 0.884615
82 DTP 0.627907 0.905405
83 GAP 0.627907 0.893333
84 ANP MG 0.625 0.894737
85 VO4 ADP 0.625 0.931507
86 ADP VO4 0.625 0.931507
87 1ZZ 0.623656 0.839506
88 TXA 0.623656 0.932432
89 FYA 0.623656 0.905405
90 ME8 0.623656 0.839506
91 NB8 0.623656 0.896104
92 T5A 0.621359 0.841463
93 RAB 0.619718 0.84507
94 ADN 0.619718 0.84507
95 XYA 0.619718 0.84507
96 9SN 0.610526 0.871795
97 48N 0.61 0.896104
98 AP0 0.607843 0.896104
99 FA5 0.604167 0.906667
100 YAP 0.604167 0.894737
101 TXD 0.60396 0.907895
102 6V0 0.60396 0.896104
103 NXX 0.60396 0.932432
104 NAI 0.60396 0.907895
105 DND 0.60396 0.932432
106 NAX 0.60396 0.873418
107 ADP BMA 0.602151 0.918919
108 A2R 0.6 0.985915
109 OMR 0.598039 0.851852
110 TXE 0.598039 0.907895
111 XAH 0.597938 0.839506
112 DAL AMP 0.593407 0.905405
113 7DT 0.593023 0.985714
114 AOC 0.592593 0.821918
115 4UV 0.591837 0.894737
116 DDS 0.590909 0.878378
117 139 0.590476 0.873418
118 CNA 0.584906 0.932432
119 6AD 0.58427 0.909091
120 5AS 0.583333 0.77907
121 5N5 0.581081 0.819444
122 4UU 0.58 0.894737
123 4TC 0.576923 0.896104
124 ADJ 0.575472 0.851852
125 5CD 0.573333 0.805556
126 A4D 0.573333 0.819444
127 RGT 0.571429 0.958904
128 A3P 0.571429 0.971429
129 7D5 0.56962 0.878378
130 LAQ 0.568627 0.839506
131 YLP 0.563107 0.819277
132 A A 0.5625 0.944444
133 UPA 0.561905 0.907895
134 AV2 0.56044 0.917808
135 COD 0.559633 0.811765
136 4UW 0.557692 0.860759
137 JB6 0.556701 0.883117
138 3AM 0.555556 0.929577
139 ATP A A A 0.555556 0.930556
140 A2P 0.552941 0.957143
141 TYM 0.552381 0.906667
142 NA7 0.552083 0.958904
143 EP4 0.551282 0.753247
144 MYR AMP 0.55102 0.817073
145 PPS 0.549451 0.873418
146 YLB 0.54717 0.819277
147 YLC 0.54717 0.839506
148 NAD 0.545455 0.931507
149 DAT 0.545455 0.905405
150 G5A 0.544444 0.77907
151 M2T 0.544304 0.734177
152 DTA 0.544304 0.786667
153 3DH 0.54321 0.773333
154 128 0.542857 0.776471
155 AHZ 0.538462 0.817073
156 SSA 0.537634 0.8
157 GTP 0.537634 0.92
158 MTA 0.5375 0.773333
159 IOT 0.537037 0.831325
160 A3D 0.535714 0.918919
161 TYR AMP 0.534653 0.881579
162 AR6 AR6 0.533981 0.917808
163 7MD 0.533981 0.8625
164 YLA 0.53211 0.819277
165 AMP DBH 0.529412 0.893333
166 IMO 0.529412 0.929577
167 TAD 0.528846 0.884615
168 AYB 0.527273 0.809524
169 A5A 0.526882 0.807229
170 TSB 0.526316 0.819277
171 EAD 0.525424 0.873418
172 2AM 0.52439 0.943662
173 6RE 0.52381 0.759494
174 7DD 0.522727 0.985714
175 V3L 0.521739 0.971831
176 AVV 0.520833 0.896104
177 BTX 0.517857 0.841463
178 NAE 0.517241 0.894737
179 54H 0.515789 0.788235
180 VMS 0.515789 0.788235
181 52H 0.515789 0.77907
182 NSS 0.515464 0.8
183 BT5 0.513274 0.831325
184 NAQ 0.512821 0.871795
185 ZAS 0.511905 0.766234
186 A3N 0.511628 0.786667
187 J7C 0.511628 0.769231
188 5X8 0.511111 0.763158
189 53H 0.510417 0.77907
190 5CA 0.510417 0.8
191 ARU 0.510204 0.860759
192 ARG AMP 0.509434 0.829268
193 AF3 ADP 3PG 0.509259 0.8375
194 LA8 ALF 3PG 0.509259 0.8375
195 ALF ADP 3PG 0.509259 0.8375
196 ZID 0.508475 0.918919
197 P1H 0.508197 0.851852
198 OVE 0.505882 0.905405
199 S4M 0.505747 0.666667
200 LPA AMP 0.504673 0.817073
201 7MC 0.504587 0.841463
202 DZD 0.5 0.884615
203 LSS 0.5 0.761364
204 DSZ 0.5 0.8
205 P5A 0.5 0.744444
206 DSH 0.5 0.725
207 FB0 0.5 0.804598
208 MAO 0.5 0.759036
209 NDE 0.495935 0.932432
210 N0B 0.495798 0.819277
211 M24 0.495726 0.85
212 YLY 0.495726 0.809524
213 NJP 0.495575 0.945946
214 NVA LMS 0.494949 0.761364
215 MGP 0.494737 0.884615
216 6C6 0.494624 0.881579
217 NAJ PZO 0.491379 0.848101
218 0WD 0.491228 0.921053
219 LEU LMS 0.49 0.761364
220 6G0 0.489583 0.884615
221 GJV 0.488636 0.75
222 6FA 0.488189 0.841463
223 5AD 0.486842 0.746479
224 GSU 0.485149 0.77907
225 KAA 0.485149 0.752809
226 71V 0.483146 0.907895
227 NEC 0.482759 0.746667
228 A3G 0.482759 0.8
229 NAD IBO 0.482456 0.87013
230 ODP 0.482456 0.909091
231 FAS 0.48062 0.851852
232 FAD 0.48062 0.851852
233 7D7 0.480519 0.743243
234 FDA 0.480315 0.833333
235 N6P 0.48 0.915493
236 2SA 0.479167 0.932432
237 GP3 0.478723 0.921053
238 4TA 0.478261 0.807229
239 G A A A 0.478261 0.871795
240 SFG 0.478261 0.75
241 NPW 0.477876 0.886076
242 NDP 0.477876 0.921053
243 NDC 0.47619 0.871795
244 YSA 0.47619 0.77907
245 MGO 0.474227 0.860759
246 6IA 0.473684 0.8375
247 TXP 0.473684 0.921053
248 GDP 0.473684 0.92
249 NZQ 0.473684 0.909091
250 A7D 0.472527 0.776316
251 SFD 0.469231 0.734043
252 ZDA 0.468085 0.864865
253 SA8 0.468085 0.707317
254 A5D 0.468085 0.786667
255 12D 0.46789 0.785714
256 PGS 0.467391 0.883117
257 MHZ 0.467391 0.697674
258 62F 0.466165 0.8625
259 DA 0.465909 0.878378
260 D5M 0.465909 0.878378
261 GGZ 0.464646 0.825
262 SAH 0.463158 0.74359
263 SAI 0.463158 0.734177
264 NAJ PYZ 0.46281 0.85
265 FAY 0.462687 0.8625
266 Y3J 0.4625 0.726027
267 PO4 PO4 A A A A PO4 0.460784 0.902778
268 AAM 0.460674 0.971429
269 RFL 0.459259 0.821429
270 SMM 0.459184 0.686047
271 AMZ 0.458824 0.916667
272 C2R 0.458824 0.90411
273 SAM 0.458333 0.690476
274 A3S 0.456522 0.810811
275 FNK 0.455224 0.804598
276 7C5 0.453704 0.818182
277 AAT 0.453608 0.707317
278 EEM 0.453608 0.690476
279 XNP 0.452991 0.873418
280 AIR 0.451219 0.901408
281 62X 0.45098 0.666667
282 GSP 0.45 0.873418
283 ETB 0.45 0.833333
284 DCA 0.45 0.823529
285 U A G G 0.449153 0.883117
286 NIA 0.448276 0.822785
287 AMP NAD 0.447154 0.881579
288 A3T 0.446809 0.821918
289 K15 0.446602 0.682353
290 A A A 0.446602 0.905405
291 PUA 0.446281 0.884615
292 6K6 0.445545 0.930556
293 GEK 0.445545 0.7375
294 4YB 0.445455 0.761364
295 S7M 0.444444 0.690476
296 DG1 0.443548 0.921053
297 1DG 0.443548 0.921053
298 Z5A 0.443548 0.77907
299 COA 0.442623 0.823529
300 0T1 0.442623 0.823529
301 WSA 0.442478 0.788235
302 8BR 0.43956 0.906667
303 101 0.438202 0.878378
304 IDP 0.4375 0.918919
305 NAP 0.435484 0.945205
306 APU 0.434783 0.894737
307 A U 0.434783 0.87013
308 7RP 0.433333 0.928571
309 A6D 0.432692 0.722892
310 CAO 0.432 0.795455
311 AMX 0.432 0.833333
312 COS 0.432 0.804598
313 TAP 0.432 0.907895
314 J7V 0.432 0.833333
315 30N 0.432 0.752688
316 V1N 0.431193 0.917808
317 649 0.429825 0.744444
318 P5F 0.429577 0.823529
319 NA0 0.428571 0.932432
320 CMX 0.428571 0.823529
321 7RA 0.428571 0.957747
322 SCO 0.428571 0.823529
323 0UM 0.427184 0.698795
324 GAV 0.427184 0.884615
325 ACK 0.426966 0.861111
326 1RB 0.426966 0.885714
327 QQY 0.426966 0.815789
328 GCP 0.425743 0.896104
329 G1R 0.425743 0.907895
330 FAM 0.425197 0.804598
331 FCX 0.425197 0.795455
332 ACO 0.425197 0.795455
333 GNH 0.424242 0.907895
334 F2N 0.423611 0.813953
335 GDC 0.422018 0.884615
336 GDD 0.422018 0.884615
337 GKE 0.422018 0.884615
338 HAX 0.421875 0.804598
339 3AD 0.421687 0.805556
340 GNP 0.421569 0.896104
341 FA9 0.42069 0.864198
342 KB1 0.420561 0.698795
343 TM1 0.420561 0.77381
344 H6Y 0.42 0.945205
345 2MC 0.419847 0.769231
346 3KK 0.418605 0.804598
347 FYN 0.418605 0.823529
348 S8M 0.417476 0.759494
349 2VA 0.416667 0.8
350 NHD 0.416667 0.905405
351 26A 0.416667 0.763158
352 QQX 0.41573 0.805195
353 SOP 0.415385 0.804598
354 OXK 0.415385 0.804598
355 COK 0.415385 0.804598
356 MCD 0.415385 0.804598
357 CA6 0.415385 0.729167
358 YE1 0.413534 0.813953
359 FAI 0.413043 0.916667
360 AS 0.413043 0.833333
361 RMB 0.413043 0.873239
362 1VU 0.412214 0.795455
363 CO6 0.412214 0.804598
364 CMC 0.412214 0.804598
365 NMX 0.412214 0.76087
366 SXZ 0.411215 0.710843
367 ANZ 0.410714 0.8
368 SCA 0.410448 0.804598
369 PLP AAD 0.409836 0.741573
370 SCD 0.409091 0.823529
371 CAJ 0.409091 0.804598
372 NAD BBN 0.408759 0.841463
373 NVA 2AD 0.408163 0.74359
374 D3Y 0.407767 0.789474
375 CC5 0.407407 0.816901
376 U G A 0.407407 0.839506
377 KH3 0.40708 0.674419
378 SLU 0.406504 0.770115
379 G 0.40625 0.906667
380 5GP 0.40625 0.906667
381 BCO 0.406015 0.804598
382 IVC 0.406015 0.813953
383 A1S 0.406015 0.804598
384 MLC 0.406015 0.804598
385 3HC 0.406015 0.813953
386 1HE 0.406015 0.786517
387 GTG 0.405405 0.886076
388 NMN AMP PO4 0.404959 0.87013
389 3D1 0.404762 0.773333
390 3L1 0.404762 0.773333
391 CMP 0.404255 0.901408
392 2BA 0.404255 0.915493
393 SO8 0.40404 0.789474
394 VRT 0.40404 0.769231
395 MCA 0.402985 0.795455
396 CAA 0.402985 0.813953
397 COO 0.402985 0.804598
398 NAD CJ3 0.402878 0.811765
399 G2R 0.401869 0.884615
400 3NZ 0.401869 0.782051
401 ZZB 0.4 0.77381
402 MC4 0.4 0.76087
403 2FA 0.4 0.813333
404 2CP 0.4 0.795455
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3NEM; Ligand: ATP; Similar sites found: 62
This union binding pocket(no: 1) in the query (biounit: 3nem.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3KB6 NAD 0.02609 0.40351 1.49701
2 5UIU 8CG 0.01939 0.4113 1.54799
3 2ZTG A5A 0.0000000009736 0.64262 1.82648
4 2CJ9 SSA 0.0000004206 0.62279 1.82648
5 2CJA ATP 0.000001335 0.59247 1.82648
6 4DQ2 BTX 0.01624 0.41521 2.13415
7 1WLE SRP 0.0000005493 0.6172 2.28311
8 5VAD 91Y 0.0001511 0.52062 2.28311
9 3QO8 SSA 0.000006358 0.51099 2.28311
10 2JLB UDM 0.02179 0.4048 2.51142
11 4TSK NDP 0.01808 0.41025 2.57143
12 5TA6 79D 0.01038 0.42234 2.7933
13 3UH0 TSB 0.0001265 0.51215 2.96804
14 3E8N ATP 0.0285 0.41597 3.22581
15 3E8N VRA 0.0285 0.41597 3.22581
16 4IQY AR6 0.02331 0.40048 3.33333
17 3ERR AMP 0.0000165 0.53434 3.42466
18 3CV2 COA 0.00885 0.42096 3.42466
19 1Q19 APC 0.007969 0.42026 3.42466
20 3MVH WFE 0.01359 0.41913 3.50877
21 5N87 N66 0.03152 0.40616 3.51438
22 1SES AMP 0.000002638 0.57695 3.56295
23 1SES AHX 0.000004262 0.51785 3.56295
24 2Y88 2ER 0.03838 0.40272 3.68852
25 4XDZ NDP 0.02614 0.40084 3.79009
26 4H2W AMP 0.0000005608 0.55447 3.8835
27 4H2X G5A 0.000001211 0.51828 3.8835
28 4H2W 5GP 0.000007255 0.49907 3.8835
29 3MF2 AMP 0.000001204 0.60903 4.33526
30 3TEG DAH 0.007068 0.42281 4.57831
31 5ML3 DL3 0.003455 0.45789 4.69799
32 5E4R NAP 0.02023 0.41037 4.79452
33 4XTX 590 0.02392 0.40789 4.81482
34 1B7Y FYA 0.000004666 0.44813 4.85714
35 2QHS OCA 0.007531 0.40697 5.48523
36 3IAA TYD 0.01566 0.40243 5.52885
37 3RSC TYD 0.01481 0.40708 5.54217
38 2J3M ATP 0.0000002662 0.64111 5.70776
39 2J3M PRI 0.0000003693 0.6368 5.70776
40 3HXU A5A 0.00000001191 0.55399 6.16438
41 2QHV OC9 0.004605 0.42175 6.19048
42 3O9L LPN 0.02135 0.41991 6.81818
43 2X4Z X4Z 0.0342 0.40328 7.09459
44 4L3L 5FI 0.01149 0.4228 7.23684
45 3R96 ACO 0.005727 0.44657 7.44681
46 3R96 AMP 0.005727 0.44657 7.44681
47 2I4O ATP 0.00000001588 0.67161 8.44749
48 4H2V AMP 0.0000009354 0.61175 10
49 2CM4 RCL 0.009782 0.41591 10
50 3IAL PR8 0.00002548 0.44612 10.274
51 12AS AMP 0.00000005626 0.68485 10.6061
52 4CS4 ANP 0.00000000003127 0.87397 14.5985
53 4CS4 AXZ 0.00000000005517 0.87397 14.5985
54 5A5W GUO 0.03101 0.41139 14.6245
55 3Q9L ATP 0.00991 0.40377 23.4615
56 3REU ATP 0.0000000000251 0.82196 39.4558
57 3A5Y KAA 0.000000001802 0.75353 40.5797
58 3G1Z AMP 0.0000000002321 0.75714 42.3313
59 3A5Z KAA 0.000000009908 0.71975 42.6829
60 2GU8 796 0.04437 0.41246 45
61 1E1O LYS 0.000004684 0.45015 45.8904
62 3BJU ATP 0.0000001596 0.63276 46.347
Pocket No.: 2; Query (leader) PDB : 3NEM; Ligand: AMO; Similar sites found: 57
This union binding pocket(no: 2) in the query (biounit: 3nem.bio1) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2ZTG A5A 0.000000001165 0.72084 1.82648
2 2CJ9 SSA 0.00000005253 0.54975 1.82648
3 2CJA ATP 0.000001713 0.48454 1.82648
4 3LGS ADE 0.03805 0.40109 2.24719
5 3QO8 SSA 0.00000005061 0.65538 2.28311
6 1WLE SRP 0.00000002958 0.56044 2.28311
7 5VAD 91Y 0.00008203 0.47751 2.28311
8 3ZJX BOG 0.03762 0.40229 2.76817
9 3UH0 TSB 0.00000607 0.5031 2.96804
10 3KYF 5GP 5GP 0.01834 0.40856 3.0303
11 1EM6 CP4 0.04026 0.40433 3.19635
12 4HWS 1B3 0.00003603 0.43069 3.40633
13 3ERR AMP 0.00001297 0.44645 3.42466
14 3CV2 COA 0.008649 0.43447 3.42466
15 5F7U GLC GLC 0.02152 0.41272 3.42466
16 3MEH THP 0.01574 0.40801 3.4965
17 1SES AHX 0.00000003988 0.66016 3.56295
18 1SES AMP 0.000003288 0.60338 3.56295
19 1JQN DCO 0.01717 0.40618 3.65297
20 4A91 GLU 0.02996 0.41153 3.69128
21 2CYB TYR 0.03908 0.40075 3.71517
22 4H2X G5A 0.0000001285 0.6204 3.8835
23 4H2W AMP 0.000001077 0.5939 3.8835
24 4H2W 5GP 0.00001642 0.53288 3.8835
25 5C5T AKG 0.02896 0.40239 3.94737
26 4HIA FMN 0.004746 0.40982 3.97727
27 4F8L AES 0.007135 0.44038 4.13793
28 3MF2 AMP 0.0000004475 0.5384 4.33526
29 5BVE 4VG 0.01699 0.40547 4.43213
30 3UN3 G16 0.01566 0.43224 4.51128
31 3TEG DAH 0.00001583 0.47821 4.57831
32 2RHQ GAX 0.001928 0.42424 4.79452
33 1B7Y FYA 0.0000001141 0.58166 4.85714
34 2J3M PRI 0.0000001706 0.56218 5.70776
35 2J3M ATP 0.0000001143 0.56202 5.70776
36 3HXU A5A 0.00000002958 0.62538 6.16438
37 4OYA 1VE 0.01658 0.40789 6.16438
38 2QHV OC9 0.00741 0.43274 6.19048
39 3A7R LAQ 0.003455 0.41666 6.23145
40 2E5A LAQ 0.002539 0.41296 6.91643
41 2VDF OCT 0.0003257 0.48631 7.50988
42 1SS4 GSH 0.00178 0.41093 7.84314
43 2ART LPA AMP 0.0001911 0.40284 8.39695
44 2I4O ATP 0.00000003205 0.50497 8.44749
45 4H2V AMP 0.0000002766 0.53909 10
46 1RL4 BRR 0.01401 0.4186 10.1064
47 3IAL PR8 0.000004506 0.53418 10.274
48 12AS AMP 0.0000000002529 0.68951 10.6061
49 4CS4 AXZ 0.00000000004386 0.7592 14.5985
50 4CS4 ANP 0.00000000002183 0.75896 14.5985
51 3G08 FEE 0.003857 0.42998 21.2121
52 3REU ATP 0.0000000002927 0.61422 39.4558
53 3A5Y KAA 0.00000000009322 0.69494 40.5797
54 3G1Z AMP 0.000000000876 0.55397 42.3313
55 3A5Z KAA 0.0000000003739 0.67979 42.6829
56 1E1O LYS 0.00000003098 0.60402 45.8904
57 3BJU ATP 0.00000052 0.49489 46.347
Feedback