Receptor
PDB id Resolution Class Description Source Keywords
2XTI 2.4 Å EC: 6.1.1.4 ASPARAGINYL-TRNA SYNTHETASE FROM BRUGIA MALAYI COMPLEXED WITH ATP:MG AND L-ASP-BETA-NOH ADENYLATE:PPI:MG BRUGIA MALAYI LIGASE ATP-BINDING PROTEIN BIOSYNTHESIS FILARIASIS
Ref.: A HYBRID STRUCTURAL MODEL OF THE COMPLETE BRUGIA MALAYI CYTOPLASMIC ASPARAGINYL-TRNA SYNTHETASE. J.MOL.BIOL. V. 405 1056 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ATP MG B:1549;
 Valid;
 none;
 submit data
527.455 n/a [P+](...
MG A:1551;
A:1553;
B:1550;
B:1552;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
 submit data
24.305 Mg [Mg+2...
NB8 A:1549;
 Valid;
 none;
 submit data
477.323 C14 H20 N7 O10 P c1nc(...
POP MG A:1550;
 Invalid;
 none;
 submit data n/a n/a n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2XGT 1.9 Å EC: 6.1.1.4 ASPARAGINYL-TRNA SYNTHETASE FROM BRUGIA MALAYI COMPLEXED WITH THE SULPHAMOYL ANALOGUE OF ASPARAGINYL-ADENYLATE BRUGIA MALAYI LIGASE ATP-BINDING PROTEIN BIOSYNTHESIS
Ref.: A HYBRID STRUCTURAL MODEL OF THE COMPLETE BRUGIA MALAYI CYTOPLASMIC ASPARAGINYL-TRNA SYNTHETASE. J.MOL.BIOL. V. 405 1056 2011
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 2XTI - NB8 C14 H20 N7 O10 P c1nc(c2c(n....
2 2XGT - NSS C14 H21 N8 O8 S 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 2XTI - NB8 C14 H20 N7 O10 P c1nc(c2c(n....
2 2XGT - NSS C14 H21 N8 O8 S 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: ATP MG; Similar ligands found: 312
No: Ligand ECFP6 Tc MDL keys Tc
1 ATP MG 1 1
2 ADP PO3 0.985915 0.957747
3 ADP MG 0.890411 1
4 BEF ADP 0.853333 0.972603
5 ADP BEF 0.853333 0.972603
6 ATP A A A 0.804598 0.944444
7 ALF ADP 0.790123 0.907895
8 ADP ALF 0.790123 0.907895
9 ADP VO4 0.780488 0.945205
10 VO4 ADP 0.780488 0.945205
11 AMP MG 0.76 0.985915
12 ANP MG 0.759036 0.959459
13 ADP BMA 0.727273 0.906667
14 A 0.710526 0.90411
15 AMP 0.710526 0.90411
16 ABM 0.705128 0.88
17 A2D 0.705128 0.905405
18 GAP 0.702381 0.906667
19 ADP 0.7 0.905405
20 AR6 AR6 0.694737 0.931507
21 PO4 PO4 A A A A PO4 0.688889 0.916667
22 A12 0.6875 0.87013
23 AP2 0.6875 0.87013
24 BA3 0.6875 0.905405
25 B4P 0.679012 0.905405
26 AP5 0.679012 0.905405
27 AN2 0.670732 0.893333
28 APC 0.666667 0.87013
29 DAL AMP 0.662921 0.918919
30 M33 0.662651 0.893333
31 SRA 0.658228 0.857143
32 ATP 0.654762 0.905405
33 50T 0.654762 0.893333
34 ACP 0.654762 0.881579
35 AR6 0.647059 0.905405
36 5FA 0.647059 0.905405
37 AQP 0.647059 0.905405
38 APR 0.647059 0.905405
39 AHZ 0.646465 0.829268
40 ACQ 0.643678 0.881579
41 CA0 0.642857 0.881579
42 AU1 0.642857 0.881579
43 ADX 0.642857 0.817073
44 AD9 0.639535 0.906667
45 RBY 0.639535 0.87013
46 AGS 0.639535 0.858974
47 ADV 0.639535 0.87013
48 SAP 0.639535 0.858974
49 PRX 0.627907 0.857143
50 A A 0.62766 0.905405
51 LA8 ALF 3PG 0.627451 0.873418
52 ALF ADP 3PG 0.627451 0.873418
53 AF3 ADP 3PG 0.627451 0.873418
54 ANP 0.625 0.881579
55 TAT 0.625 0.87013
56 4TA 0.616822 0.819277
57 MYR AMP 0.614583 0.829268
58 ATF 0.611111 0.87013
59 5AL 0.6 0.893333
60 TYR AMP 0.59596 0.894737
61 SON 0.593023 0.87013
62 NAD IBO 0.592593 0.907895
63 A22 0.591398 0.893333
64 MAP 0.591398 0.907895
65 AMP DBH 0.59 0.881579
66 SRP 0.586957 0.87013
67 ADQ 0.578947 0.881579
68 A1R 0.578947 0.848101
69 5N5 0.578947 0.783784
70 ADN 0.573333 0.808219
71 RAB 0.573333 0.808219
72 XYA 0.573333 0.808219
73 AOC 0.571429 0.810811
74 NAJ PZO 0.571429 0.860759
75 Z5A 0.568965 0.790698
76 8QN 0.568421 0.893333
77 5SV 0.568421 0.814815
78 OOB 0.568421 0.893333
79 25A 0.568421 0.905405
80 ARG AMP 0.567308 0.819277
81 OAD 0.56701 0.881579
82 NAJ PYZ 0.565217 0.8625
83 5AS 0.563218 0.75
84 PAJ 0.5625 0.82716
85 4AD 0.5625 0.883117
86 AMO 0.5625 0.87013
87 LPA AMP 0.561905 0.829268
88 NAD 0.558559 0.918919
89 AHX 0.556701 0.8375
90 DLL 0.556701 0.893333
91 00A 0.556701 0.848101
92 3OD 0.555556 0.881579
93 BIS 0.555556 0.848101
94 GTP MG 0.552083 0.909091
95 5CD 0.551282 0.794521
96 A4D 0.551282 0.783784
97 3UK 0.55102 0.881579
98 25L 0.55 0.893333
99 A3D 0.548673 0.906667
100 7MD 0.548077 0.807229
101 AFH 0.548077 0.82716
102 AMP NAD 0.547009 0.92
103 LAD 0.545455 0.82716
104 PR8 0.545455 0.817073
105 WAQ 0.545455 0.848101
106 9SN 0.544554 0.8375
107 FYA 0.54 0.868421
108 ME8 0.54 0.807229
109 1ZZ 0.54 0.807229
110 PTJ 0.54 0.8375
111 NB8 0.54 0.8375
112 JB6 0.54 0.848101
113 TXA 0.54 0.87013
114 EP4 0.530864 0.74359
115 7D5 0.53012 0.818182
116 NAE 0.529915 0.883117
117 G5A 0.526882 0.75
118 A5A 0.526316 0.776471
119 NAQ 0.525424 0.860759
120 M2T 0.52439 0.746835
121 DTA 0.52439 0.776316
122 YAP 0.524272 0.858974
123 FA5 0.524272 0.87013
124 G3A 0.52381 0.8375
125 3DH 0.52381 0.763158
126 7D3 0.522727 0.820513
127 ZID 0.521008 0.906667
128 XAH 0.519231 0.807229
129 G5P 0.518868 0.8375
130 MTA 0.518072 0.763158
131 G A A A 0.517544 0.860759
132 A3P 0.516854 0.90411
133 PAP 0.516129 0.891892
134 4UV 0.514286 0.858974
135 TAD 0.514019 0.82716
136 GTA 0.514019 0.829268
137 NAX 0.513761 0.817073
138 NAI 0.513761 0.848101
139 A3N 0.511364 0.753247
140 TSB 0.510204 0.767442
141 TXE 0.509091 0.848101
142 6RE 0.505747 0.75
143 2A5 0.505376 0.833333
144 SSA 0.505155 0.75
145 4UU 0.504673 0.858974
146 48N 0.504587 0.8375
147 YLP 0.504587 0.788235
148 4TC 0.504505 0.8375
149 AP0 0.504505 0.8375
150 UP5 0.5 0.858974
151 U A G G 0.5 0.871795
152 52H 0.5 0.75
153 DND 0.5 0.894737
154 DSZ 0.5 0.75
155 54H 0.5 0.758621
156 TXD 0.5 0.848101
157 6V0 0.5 0.8375
158 7D4 0.5 0.820513
159 ATR 0.5 0.878378
160 NXX 0.5 0.894737
161 VMS 0.5 0.758621
162 A2P 0.5 0.890411
163 3AM 0.5 0.864865
164 NDE 0.496 0.894737
165 OMR 0.495495 0.797619
166 LAQ 0.495413 0.807229
167 NVA LMS 0.49505 0.752809
168 53H 0.494949 0.75
169 5CA 0.494949 0.75
170 J7C 0.494382 0.7375
171 ZAS 0.494253 0.779221
172 N01 0.491525 0.918919
173 NMN AMP PO4 0.491379 0.883117
174 139 0.491228 0.817073
175 ADJ 0.491228 0.797619
176 YLB 0.491071 0.788235
177 7MC 0.491071 0.788235
178 A A A 0.490196 0.918919
179 S4M 0.488889 0.678161
180 NDC 0.488189 0.860759
181 A4P 0.486726 0.770115
182 4UW 0.486486 0.82716
183 ENQ 0.485437 0.90411
184 P5A 0.485437 0.717391
185 LSS 0.485149 0.733333
186 NSS 0.485149 0.770115
187 NAD BBN 0.484848 0.831325
188 MAO 0.483516 0.729412
189 DSH 0.483146 0.716049
190 TYM 0.482143 0.87013
191 GDP MG 0.479592 0.909091
192 5X8 0.478723 0.753247
193 T5A 0.478261 0.788235
194 YLC 0.477876 0.807229
195 UPA 0.477876 0.848101
196 IMO 0.477778 0.864865
197 NAD CJ3 0.477612 0.802326
198 LEU LMS 0.475728 0.752809
199 V3L 0.474227 0.905405
200 CNA 0.474138 0.894737
201 A U 0.473684 0.883117
202 GJV 0.472527 0.740741
203 2AM 0.471264 0.853333
204 KAA 0.471154 0.725275
205 GSU 0.471154 0.75
206 FAD NBT 0.471014 0.723404
207 A2R 0.47 0.893333
208 IOT 0.469565 0.77907
209 PPS 0.469388 0.795181
210 SA8 0.46875 0.698795
211 5AD 0.468354 0.736111
212 ITT 0.468085 0.853333
213 COD 0.466102 0.761364
214 YLA 0.465517 0.788235
215 AV2 0.464646 0.855263
216 CNV FAD 0.463768 0.764045
217 SFG 0.463158 0.74026
218 YSA 0.462963 0.75
219 DZD 0.462185 0.82716
220 AYB 0.461538 0.77907
221 GDP BEF 0.46 0.886076
222 SAM 0.459184 0.702381
223 FAD CNX 0.457746 0.701031
224 A7D 0.457447 0.766234
225 OVE 0.455556 0.820513
226 6AD 0.454545 0.82716
227 DAL FAD PER 0.453901 0.821429
228 BTX 0.453782 0.788235
229 MHZ 0.452632 0.670455
230 71V 0.451613 0.825
231 A3G 0.450549 0.766234
232 BT5 0.45 0.77907
233 SAH 0.44898 0.734177
234 6C6 0.44898 0.822785
235 SAI 0.44898 0.746835
236 GDP AF3 0.447619 0.829268
237 NAD NDT 0.447552 0.71875
238 M24 0.447154 0.817073
239 BEF GDP 0.446602 0.875
240 4YB 0.446429 0.733333
241 Y3J 0.445783 0.716216
242 SMM 0.445545 0.697674
243 P6G FDA 0.444444 0.764045
244 P33 FDA 0.444444 0.73913
245 7D7 0.444444 0.733333
246 PAX 0.444444 0.797619
247 7C5 0.441441 0.78481
248 U G A 0.440298 0.829268
249 EEM 0.44 0.722892
250 A5D 0.438776 0.776316
251 NAD TDB 0.438356 0.669903
252 ARU 0.438095 0.783133
253 NAJ 0.436975 0.918919
254 NAP 0.436508 0.906667
255 YLY 0.435484 0.77907
256 NEC 0.434783 0.714286
257 GDP ALF 0.433962 0.829268
258 NA7 0.433962 0.87013
259 TAP 0.433071 0.871795
260 DAT 0.43299 0.820513
261 GEK 0.432692 0.75
262 S7M 0.431373 0.702381
263 WSA 0.431034 0.758621
264 U A C C 0.430894 0.871795
265 FAD NBA 0.430464 0.708333
266 6IA 0.43 0.783133
267 3AT 0.43 0.88
268 NHD 0.429752 0.893333
269 NA0 0.429688 0.894737
270 EAD 0.429688 0.817073
271 0UM 0.428571 0.690476
272 P1H 0.427481 0.797619
273 A3S 0.427083 0.776316
274 AMZ 0.426966 0.828947
275 AAT 0.425743 0.698795
276 N0B 0.425197 0.788235
277 GDP 7MG 0.424779 0.85
278 PGS 0.42268 0.825
279 128 0.422414 0.727273
280 TM1 0.422018 0.744186
281 2SA 0.421569 0.846154
282 A6D 0.420561 0.73494
283 D5M 0.419355 0.818182
284 DA 0.419355 0.818182
285 6K6 0.419048 0.866667
286 AVV 0.419048 0.8375
287 649 0.418803 0.717391
288 U A A U 0.418605 0.871795
289 A3T 0.418367 0.786667
290 NIA 0.417582 0.790123
291 DTP 0.415842 0.820513
292 AAM 0.414894 0.90411
293 PLP AAD 0.41129 0.752809
294 NFD 0.41129 0.871795
295 62X 0.411215 0.659091
296 C2R 0.411111 0.818182
297 FB0 0.410448 0.736264
298 GGZ 0.409524 0.771084
299 101 0.408602 0.818182
300 APC G U 0.408 0.825
301 K15 0.407407 0.674419
302 3AD 0.406977 0.794521
303 0WD 0.406504 0.8375
304 S8M 0.40566 0.728395
305 FDA 0.404412 0.761364
306 ALF 5GP 0.403846 0.829268
307 G1R G1R 0.403101 0.839506
308 A U C C 0.402985 0.860759
309 AIR 0.402299 0.837838
310 NZQ 0.401639 0.82716
311 6FA 0.40146 0.788235
312 SXZ 0.4 0.702381
Ligand no: 2; Ligand: NB8; Similar ligands found: 300
No: Ligand ECFP6 Tc MDL keys Tc
1 NB8 1 1
2 AMO 0.820225 0.960526
3 SRP 0.795455 0.935065
4 5AL 0.752809 0.909091
5 LAD 0.736842 0.888889
6 ME8 0.729167 0.86747
7 8QN 0.712766 0.909091
8 FA5 0.707071 0.935065
9 YAP 0.707071 0.923077
10 4AD 0.705263 0.948052
11 CA0 0.704545 0.922078
12 YLP 0.692308 0.847059
13 PAJ 0.6875 0.865854
14 YLB 0.672897 0.847059
15 A2D 0.666667 0.896104
16 PTJ 0.66 0.853659
17 YLC 0.657407 0.86747
18 AN2 0.655556 0.909091
19 BA3 0.651685 0.896104
20 TYM 0.648148 0.935065
21 AHX 0.646465 0.974026
22 DLL 0.646465 0.909091
23 B4P 0.644444 0.896104
24 ADP 0.644444 0.896104
25 AP5 0.644444 0.896104
26 YLA 0.63964 0.847059
27 AYB 0.633929 0.837209
28 A 0.632184 0.87013
29 AMP 0.632184 0.87013
30 ANP 0.631579 0.897436
31 M33 0.630435 0.884615
32 ADX 0.630435 0.811765
33 AGS 0.62766 0.851852
34 SAP 0.62766 0.851852
35 TXA 0.627451 0.910256
36 OOB 0.626263 0.909091
37 ATP 0.623656 0.896104
38 50T 0.623656 0.860759
39 ACP 0.623656 0.897436
40 WAQ 0.617647 0.8875
41 5FA 0.617021 0.896104
42 AQP 0.617021 0.896104
43 APR 0.617021 0.921053
44 AR6 0.617021 0.921053
45 PRX 0.617021 0.82716
46 00A 0.613861 0.864198
47 AU1 0.612903 0.897436
48 ABM 0.611111 0.848101
49 AD9 0.610526 0.873418
50 3UK 0.607843 0.897436
51 SRA 0.606742 0.82716
52 XAH 0.603774 0.91358
53 PR8 0.601942 0.878049
54 AMP MG 0.6 0.825
55 ACQ 0.597938 0.897436
56 AP2 0.597826 0.886076
57 A12 0.597826 0.886076
58 YLY 0.596639 0.837209
59 1ZZ 0.596154 0.823529
60 A1R 0.588235 0.8875
61 ATF 0.585859 0.8625
62 SON 0.585106 0.910256
63 9SN 0.584906 0.853659
64 DAL AMP 0.584158 0.884615
65 N0B 0.581967 0.847059
66 GAP 0.581633 0.873418
67 3OD 0.580952 0.922078
68 OAD 0.576923 0.922078
69 4UV 0.568807 0.875
70 A22 0.568627 0.884615
71 APC 0.56701 0.886076
72 FYA 0.566038 0.884615
73 TAT 0.565657 0.8625
74 5SV 0.563107 0.788235
75 25A 0.563107 0.871795
76 ADP MG 0.5625 0.8375
77 ADV 0.561224 0.910256
78 RBY 0.561224 0.910256
79 7MD 0.558559 0.91358
80 4UU 0.558559 0.875
81 ADQ 0.557692 0.897436
82 ADP BEF 0.556701 0.817073
83 BEF ADP 0.556701 0.817073
84 MAP 0.553398 0.875
85 ANP MG 0.54902 0.851852
86 LAQ 0.548673 0.823529
87 IOT 0.547009 0.837209
88 ADP PO3 0.545455 0.87013
89 48N 0.54386 0.9
90 ATP MG 0.54 0.8375
91 4UW 0.53913 0.843373
92 BIS 0.537037 0.841463
93 SSA 0.533981 0.827586
94 25L 0.53211 0.884615
95 TYR AMP 0.531532 0.886076
96 DSZ 0.528302 0.848837
97 TXD 0.525862 0.864198
98 NAI 0.525862 0.864198
99 6V0 0.525862 0.853659
100 G5A 0.524752 0.806818
101 BT5 0.52459 0.837209
102 ALF ADP 0.524272 0.807229
103 ADP ALF 0.524272 0.807229
104 A5A 0.524272 0.793103
105 TSB 0.52381 0.804598
106 5CA 0.52381 0.827586
107 G3A 0.522124 0.853659
108 ARG AMP 0.521739 0.835294
109 TXE 0.521368 0.864198
110 ADP VO4 0.519231 0.860759
111 VO4 ADP 0.519231 0.860759
112 MYR AMP 0.518182 0.802326
113 AFH 0.517544 0.865854
114 G5P 0.517544 0.853659
115 COD 0.516393 0.818182
116 VMS 0.514286 0.775281
117 52H 0.514286 0.766667
118 54H 0.514286 0.775281
119 LSS 0.514019 0.788889
120 NSS 0.514019 0.827586
121 GTA 0.513043 0.823529
122 DND 0.512821 0.910256
123 NXX 0.512821 0.910256
124 NAX 0.512821 0.878049
125 5AS 0.510204 0.747253
126 53H 0.509434 0.766667
127 OMR 0.508475 0.835294
128 M24 0.507937 0.878049
129 AP0 0.504202 0.831325
130 7MC 0.504202 0.891566
131 A A 0.5 0.848101
132 KAA 0.5 0.78022
133 AMP DBH 0.5 0.85
134 GSU 0.5 0.827586
135 AOC 0.5 0.759494
136 JB6 0.495495 0.841463
137 5X8 0.49505 0.794872
138 5CD 0.494382 0.74359
139 ADN 0.494253 0.779221
140 RAB 0.494253 0.779221
141 XYA 0.494253 0.779221
142 T5A 0.491803 0.847059
143 YSA 0.491228 0.806818
144 ADP BMA 0.490909 0.873418
145 LEU LMS 0.490909 0.769231
146 2A5 0.490196 0.85
147 CNA 0.487805 0.910256
148 A4P 0.487603 0.806818
149 UP5 0.487395 0.875
150 TAD 0.487179 0.865854
151 P5A 0.486486 0.771739
152 PAP 0.485437 0.883117
153 AF3 ADP 3PG 0.483333 0.843373
154 ALF ADP 3PG 0.483333 0.843373
155 LA8 ALF 3PG 0.483333 0.843373
156 5N5 0.483146 0.75641
157 AHZ 0.483051 0.802326
158 ATP A A A 0.482456 0.858974
159 NVA LMS 0.481818 0.769231
160 SFG 0.480392 0.782051
161 NAD 0.48 0.884615
162 BTX 0.48 0.825581
163 ADJ 0.479675 0.835294
164 4TC 0.479339 0.876543
165 UPA 0.479339 0.864198
166 LPA AMP 0.478992 0.802326
167 7D5 0.478723 0.790123
168 A4D 0.477778 0.75641
169 S7M 0.476636 0.72093
170 SMM 0.476636 0.715909
171 A3S 0.475248 0.818182
172 7D3 0.474747 0.814815
173 6RE 0.474227 0.72619
174 3DH 0.473684 0.716049
175 M2T 0.473118 0.682353
176 DTA 0.473118 0.728395
177 A3D 0.472441 0.873418
178 PPS 0.471698 0.790698
179 EEM 0.471698 0.72093
180 ATR 0.471154 0.87013
181 SA8 0.471154 0.738095
182 WSA 0.471074 0.816092
183 7D4 0.470588 0.814815
184 A3P 0.47 0.87013
185 NAE 0.469231 0.851852
186 139 0.467742 0.855422
187 SAH 0.466667 0.775
188 SAI 0.466667 0.765432
189 NAQ 0.465649 0.831325
190 J7C 0.464646 0.73494
191 EP4 0.462366 0.698795
192 SAM 0.462264 0.72093
193 A2R 0.458716 0.909091
194 ITT 0.456311 0.846154
195 A2P 0.455446 0.857143
196 EAD 0.455224 0.855422
197 A3G 0.454545 0.807692
198 AR6 AR6 0.453782 0.871795
199 2SA 0.453704 0.935065
200 3AM 0.453608 0.833333
201 DZD 0.453125 0.865854
202 MTA 0.452632 0.716049
203 A3T 0.451923 0.782051
204 ZID 0.451128 0.873418
205 IMO 0.45 0.833333
206 A3N 0.45 0.728395
207 NAD IBO 0.448819 0.829268
208 0UM 0.446429 0.729412
209 NAJ PZO 0.446154 0.831325
210 FB0 0.446043 0.791209
211 GJV 0.445545 0.717647
212 6AD 0.444444 0.821429
213 ARU 0.442478 0.77907
214 P1H 0.442029 0.835294
215 NDE 0.442029 0.8625
216 NA7 0.438596 0.886076
217 DAT 0.438095 0.860759
218 4YB 0.438017 0.808989
219 HAX 0.437956 0.852273
220 GEK 0.4375 0.768293
221 DTP 0.435185 0.860759
222 V3L 0.435185 0.896104
223 6IA 0.435185 0.8
224 3AT 0.435185 0.896104
225 ZAS 0.434343 0.753086
226 0WD 0.434109 0.853659
227 4TA 0.434109 0.813953
228 G A A A 0.434109 0.809524
229 7C5 0.433333 0.780488
230 A7D 0.432692 0.740741
231 S4M 0.431373 0.659341
232 SXZ 0.431034 0.741176
233 62X 0.429825 0.696629
234 D3Y 0.428571 0.797468
235 2AM 0.428571 0.846154
236 FNK 0.428571 0.791209
237 MAO 0.427184 0.809524
238 K15 0.426087 0.712644
239 6C6 0.425926 0.839506
240 VRT 0.425926 0.777778
241 NEC 0.425743 0.7125
242 DSH 0.425743 0.714286
243 NDC 0.425532 0.831325
244 AVV 0.424779 0.853659
245 2VA 0.424528 0.7625
246 649 0.424 0.771739
247 3NZ 0.422414 0.790123
248 NAJ PYZ 0.422222 0.833333
249 DCA 0.421053 0.808989
250 ETB 0.421053 0.818182
251 U A G G 0.419847 0.819277
252 FDA 0.41958 0.797753
253 AMP NAD 0.419118 0.8625
254 6FA 0.416667 0.825581
255 A5D 0.416667 0.728395
256 30N 0.416058 0.742268
257 AMX 0.416058 0.818182
258 OVE 0.415842 0.814815
259 NJP 0.415385 0.875
260 KB1 0.415254 0.729412
261 MHZ 0.415094 0.707865
262 COA 0.414815 0.808989
263 0T1 0.414815 0.808989
264 AV2 0.414414 0.825
265 A A A 0.413793 0.860759
266 71V 0.413462 0.819277
267 CMX 0.413043 0.829545
268 SO8 0.412844 0.753086
269 6K6 0.412281 0.835443
270 DA 0.411765 0.835443
271 D5M 0.411765 0.835443
272 FAD 0.410959 0.835294
273 SFD 0.410959 0.742268
274 FAS 0.410959 0.835294
275 NDP 0.410853 0.853659
276 TXP 0.407692 0.853659
277 NZQ 0.407692 0.865854
278 5AD 0.406593 0.688312
279 COS 0.405797 0.791209
280 Z5A 0.405797 0.786517
281 CAO 0.405797 0.782609
282 AAT 0.405405 0.697674
283 ODP 0.40458 0.843373
284 Y3J 0.404255 0.670886
285 AMZ 0.40404 0.846154
286 C2R 0.40404 0.858974
287 RFL 0.403974 0.806818
288 GGZ 0.403509 0.767442
289 KH3 0.403226 0.704545
290 SLU 0.402985 0.758242
291 SCO 0.402878 0.829545
292 7D7 0.402174 0.6875
293 PGS 0.401869 0.797619
294 PO4 PO4 A A A A PO4 0.401709 0.833333
295 MCD 0.401408 0.811111
296 62F 0.4 0.823529
297 NPW 0.4 0.86747
298 ACO 0.4 0.782609
299 FCX 0.4 0.802198
300 FAM 0.4 0.791209
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2XGT; Ligand: NSS; 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: 2xgt.bio1) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2XGT; Ligand: NSS; Similar sites found: 60
This union binding pocket(no: 2) in the query (biounit: 2xgt.bio1) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5VAD 91Y 0.00005261 0.48126 1.37931
2 3A7R LAQ 0.0002385 0.46087 1.78042
3 3IAL PR8 0.000006187 0.49188 1.83908
4 2G50 ALA 0.02501 0.41274 1.83908
5 3UH0 TSB 0.000002718 0.51098 2.06897
6 1SES AHX 0.00000004468 0.66043 2.13777
7 1SES AMP 0.000006889 0.58913 2.13777
8 4YDQ HFG 0.0002354 0.47607 2.29885
9 4YDQ ANP 0.0002483 0.47607 2.29885
10 2QHV OC9 0.006265 0.43793 2.38095
11 1OFL NGK GCD 0.02843 0.40574 2.52874
12 3TEG DAH 0.00002422 0.46386 2.6506
13 2J3M PRI 0.0000001676 0.55458 2.75862
14 2J3M ATP 0.0000002191 0.54346 2.75862
15 2C78 PUL 0.009559 0.41188 2.96296
16 4OYA 1VE 0.01357 0.40939 2.98851
17 4HWS 1B3 0.000004228 0.46615 3.16302
18 2ZTG A5A 0.000000001142 0.72413 3.21839
19 3HXU A5A 0.000000005489 0.65868 3.21839
20 3ERR AMP 0.00001782 0.43495 3.21839
21 2R0D 4IP 0.02444 0.41167 3.21839
22 2ART LPA AMP 0.000101 0.4175 3.43511
23 1T9D P22 0.009826 0.43258 3.44828
24 2YPI PGA 0.02207 0.40588 3.64372
25 3QO8 SSA 0.00000008209 0.64814 3.67816
26 4H2X G5A 0.0000002083 0.6135 3.67816
27 3MF2 AMP 0.0000008545 0.52149 3.67816
28 4H2V AMP 0.000000604 0.52093 3.67816
29 4H2W AMP 0.000003561 0.46671 3.67816
30 4H2W 5GP 0.00002904 0.44226 3.67816
31 3QCQ 3Q0 0.01698 0.41457 3.84615
32 1WLE SRP 0.00000008174 0.53593 3.90805
33 2I4O ATP 0.0000002873 0.47462 3.90805
34 1IA9 ANP 0.008158 0.40871 3.92857
35 4NAE 1GP 0.03459 0.40773 4
36 2CJ9 SSA 0.0000004487 0.51633 4.5977
37 2CJA ATP 0.00002518 0.44572 4.5977
38 5BVE 4VG 0.01698 0.40319 4.70914
39 1B7Y FYA 0.0000005222 0.55788 5.05747
40 5L2J 6UL 0.003404 0.43623 5.10204
41 5L2J 70E 0.003655 0.43623 5.10204
42 3EB9 FLC 0.01146 0.41614 5.26316
43 12AS AMP 0.000000004353 0.6335 5.45455
44 2E5A LAQ 0.00192 0.41484 5.4755
45 3BJU ATP 0.0000001617 0.49945 5.74713
46 5JCJ 6JM 0.04037 0.40006 6.25
47 1JQN DCO 0.02067 0.40359 7.12644
48 2CJU PHX 0.02105 0.41426 7.9646
49 1VJ7 GPX 0.0278 0.40042 11.9593
50 5EW9 5VC 0.01927 0.41794 12.1771
51 4CS4 AXZ 0.000000001144 0.69193 14.2336
52 4CS4 ANP 0.0000000006867 0.68936 14.2336
53 2RHQ GAX 0.0005216 0.44967 16.6667
54 3A5Y KAA 0.00000000007198 0.68613 28.4058
55 1G51 AMO 0.0000000003264 0.67738 29.1954
56 1E1O LYS 0.00000001512 0.60619 31.0345
57 3E9I XAH 0.0000000001674 0.69449 32.6437
58 3A5Z KAA 0.0000000002169 0.67619 35.3659
59 3G1Z AMP 0.0000000008313 0.54319 35.5828
60 3REU ATP 0.0000000009986 0.58741 39.1156
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