Receptor
PDB id Resolution Class Description Source Keywords
2XTI 2.4 Å EC: 6.1.1.4 ASPARAGINYL-TRNA SYNTHETASE FROM BRUGIA MALAYI COMPLEXED WIT 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 MA 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
503.15 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
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 8 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 8 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 2 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: 348
No: Ligand ECFP6 Tc MDL keys Tc
1 ADP PO3 1 1
2 ATP MG 1 1
3 ADP MG 0.888889 1
4 ATP A A A 0.813953 0.985507
5 ATP A 0.813953 0.985507
6 ALF ADP 0.8 0.918919
7 ADP ALF 0.8 0.918919
8 VO4 ADP 0.790123 0.957747
9 ADP VO4 0.790123 0.957747
10 ADP BMA 0.735632 0.944444
11 AMP 0.72 0.942857
12 A 0.72 0.942857
13 A2D 0.714286 0.943662
14 ABM 0.714286 0.916667
15 45A 0.714286 0.916667
16 GAP 0.710843 0.944444
17 ADP 0.708861 0.943662
18 APC MG 0.707317 0.971429
19 AR6 AR6 0.702128 0.971429
20 PO4 PO4 A A A A PO4 0.696629 0.956522
21 AP2 0.696203 0.905405
22 A12 0.696203 0.905405
23 BA3 0.696203 0.943662
24 AP5 0.6875 0.943662
25 B4P 0.6875 0.943662
26 AN2 0.679012 0.930556
27 AT4 0.679012 0.905405
28 APC 0.674699 0.905405
29 M33 0.670732 0.930556
30 DAL AMP 0.670455 0.957747
31 SRA 0.666667 0.891892
32 HEJ 0.662651 0.943662
33 ACP 0.662651 0.917808
34 50T 0.662651 0.90411
35 ATP 0.662651 0.943662
36 APR 0.654762 0.943662
37 AQP 0.654762 0.943662
38 AR6 0.654762 0.943662
39 5FA 0.654762 0.943662
40 AHZ 0.653061 0.860759
41 ACQ 0.651163 0.917808
42 AU1 0.650602 0.917808
43 CA0 0.650602 0.917808
44 ADX 0.650602 0.848101
45 AGS 0.647059 0.893333
46 ADV 0.647059 0.905405
47 RBY 0.647059 0.905405
48 AD9 0.647059 0.917808
49 SAP 0.647059 0.893333
50 KG4 0.642857 0.917808
51 PRX 0.635294 0.891892
52 A A 0.634409 0.943662
53 AF3 ADP 3PG 0.633663 0.883117
54 ANP 0.632184 0.917808
55 TAT 0.632184 0.905405
56 T99 0.632184 0.905405
57 6YZ 0.629214 0.917808
58 4TA 0.622642 0.85
59 MYR AMP 0.621053 0.860759
60 ATF 0.617977 0.905405
61 LMS 0.6125 0.825
62 8LE 0.606742 0.893333
63 5AL 0.606742 0.930556
64 HQG 0.604396 0.930556
65 SON 0.6 0.905405
66 MAP 0.597826 0.893333
67 A22 0.597826 0.930556
68 TYR AMP 0.59596 0.918919
69 AMP DBH 0.59596 0.917808
70 SRP 0.593407 0.905405
71 8LH 0.593407 0.905405
72 AMP NAD 0.592593 0.957747
73 9X8 0.589474 0.893333
74 5N5 0.586667 0.816901
75 A3R 0.585106 0.881579
76 A1R 0.585106 0.881579
77 ADQ 0.585106 0.917808
78 ARG AMP 0.584158 0.85
79 ADN 0.581081 0.842857
80 RAB 0.581081 0.842857
81 XYA 0.581081 0.842857
82 8LQ 0.580645 0.905405
83 AOC 0.578313 0.84507
84 NAJ PZO 0.576577 0.894737
85 25A 0.574468 0.943662
86 8QN 0.574468 0.930556
87 9ZD 0.574468 0.881579
88 OZV 0.574468 0.943662
89 9ZA 0.574468 0.881579
90 5SV 0.574468 0.846154
91 OOB 0.574468 0.930556
92 Z5A 0.573913 0.819277
93 OAD 0.572917 0.917808
94 NAJ PYZ 0.570175 0.85
95 5AS 0.569767 0.776471
96 AMO 0.568421 0.905405
97 PAJ 0.568421 0.858974
98 4AD 0.568421 0.918919
99 LPA AMP 0.567308 0.860759
100 NAD 0.563636 0.957747
101 AHX 0.5625 0.87013
102 DLL 0.5625 0.930556
103 00A 0.5625 0.881579
104 3OD 0.561224 0.917808
105 BIS 0.561224 0.881579
106 A4D 0.558442 0.816901
107 5CD 0.558442 0.828571
108 3UK 0.556701 0.917808
109 25L 0.555556 0.930556
110 A3D 0.553571 0.944444
111 AFH 0.553398 0.858974
112 7MD 0.553398 0.8375
113 PR8 0.55102 0.848101
114 B5V 0.55102 0.905405
115 LAD 0.55102 0.858974
116 WAQ 0.55102 0.881579
117 H1Q 0.550562 0.929577
118 9SN 0.55 0.87013
119 ME8 0.545455 0.8375
120 1ZZ 0.545455 0.8375
121 NB8 0.545455 0.87013
122 JB6 0.545455 0.881579
123 TXA 0.545455 0.905405
124 FYA 0.545455 0.90411
125 PTJ 0.545455 0.87013
126 EP4 0.5375 0.773333
127 7D5 0.536585 0.851351
128 NAE 0.534483 0.918919
129 G5A 0.532609 0.776471
130 A5A 0.531915 0.804878
131 M2T 0.530864 0.776316
132 DTA 0.530864 0.808219
133 3DH 0.53012 0.794521
134 NAQ 0.529915 0.894737
135 YAP 0.529412 0.893333
136 FA5 0.529412 0.905405
137 B5M 0.529412 0.893333
138 B5Y 0.529412 0.893333
139 G3A 0.528846 0.87013
140 7D3 0.528736 0.853333
141 ZID 0.525424 0.944444
142 MTA 0.52439 0.794521
143 XAH 0.524272 0.8375
144 G5P 0.52381 0.87013
145 A3P 0.522727 0.942857
146 G A A A 0.522124 0.894737
147 PAP 0.521739 0.929577
148 4UV 0.519231 0.893333
149 GTA 0.518868 0.860759
150 TAD 0.518868 0.858974
151 DQV 0.518868 0.930556
152 NAX 0.518519 0.848101
153 NAI 0.518519 0.881579
154 TSB 0.515464 0.795181
155 TXE 0.513761 0.881579
156 6RE 0.511628 0.779221
157 2A5 0.51087 0.866667
158 SSA 0.510417 0.776471
159 4UU 0.509434 0.893333
160 GA7 0.509434 0.88
161 YLP 0.509259 0.817073
162 48N 0.509259 0.87013
163 4TC 0.509091 0.87013
164 AP0 0.509091 0.87013
165 A G 0.508772 0.906667
166 U A 0.508621 0.906667
167 3AM 0.505882 0.901408
168 A2P 0.505618 0.928571
169 7D4 0.505495 0.853333
170 ATR 0.505376 0.915493
171 54H 0.505155 0.785714
172 52H 0.505155 0.776471
173 VMS 0.505155 0.785714
174 DSZ 0.50505 0.776471
175 NXX 0.504587 0.931507
176 TXD 0.504587 0.881579
177 UP5 0.504587 0.893333
178 6V0 0.504587 0.87013
179 DND 0.504587 0.931507
180 U A G G 0.504348 0.906667
181 ZAS 0.5 0.810811
182 J7C 0.5 0.766234
183 LAQ 0.5 0.8375
184 A3N 0.5 0.783784
185 53H 0.5 0.776471
186 5CA 0.5 0.776471
187 NDE 0.5 0.931507
188 OMR 0.5 0.82716
189 8X1 0.5 0.75
190 N01 0.495726 0.957747
191 NMN AMP PO4 0.495652 0.918919
192 ADJ 0.495575 0.82716
193 139 0.495575 0.848101
194 YLB 0.495495 0.817073
195 7MC 0.495495 0.817073
196 A A A 0.49505 0.957747
197 S4M 0.494382 0.702381
198 NDC 0.492063 0.894737
199 A4P 0.491071 0.797619
200 4UW 0.490909 0.858974
201 P5A 0.490196 0.741573
202 ENQ 0.490196 0.942857
203 LSS 0.49 0.758621
204 NSS 0.49 0.797619
205 MAO 0.488889 0.756098
206 DSH 0.488636 0.74359
207 F2R 0.486957 0.817073
208 TYM 0.486486 0.905405
209 9K8 0.485437 0.730337
210 NVA LMS 0.485149 0.770115
211 5X8 0.483871 0.783784
212 IMO 0.483146 0.901408
213 T5A 0.482456 0.817073
214 YLC 0.482143 0.8375
215 UPA 0.482143 0.881579
216 LEU LMS 0.480392 0.770115
217 V3L 0.479167 0.943662
218 CNA 0.478261 0.931507
219 CNV FAD 0.477941 0.819277
220 A U 0.477876 0.918919
221 GJV 0.477778 0.769231
222 6MZ 0.477778 0.902778
223 2AM 0.476744 0.888889
224 GSU 0.475728 0.776471
225 KAA 0.475728 0.75
226 A2R 0.474747 0.930556
227 FAD NBT 0.474453 0.747253
228 5AD 0.474359 0.768116
229 PPS 0.474227 0.825
230 SA8 0.473684 0.725
231 IOT 0.473684 0.807229
232 ITT 0.473118 0.888889
233 8PZ 0.471698 0.776471
234 COD 0.470085 0.788235
235 YLA 0.469565 0.817073
236 AV2 0.469388 0.864865
237 SFG 0.468085 0.77027
238 B1U 0.46729 0.752809
239 YSA 0.46729 0.776471
240 DZD 0.466102 0.858974
241 AYB 0.465517 0.807229
242 SAM 0.463918 0.728395
243 A7D 0.462366 0.797297
244 80F 0.462185 0.817073
245 FAD CNX 0.460993 0.723404
246 OVE 0.460674 0.853333
247 6AD 0.459184 0.858974
248 BTX 0.457627 0.817073
249 MHZ 0.457447 0.694118
250 71V 0.456522 0.857143
251 A3G 0.455556 0.797297
252 COA FLC 0.455285 0.809524
253 BT5 0.453782 0.807229
254 6C6 0.453608 0.855263
255 SAH 0.453608 0.763158
256 HFD 0.453608 0.893333
257 JSQ 0.453608 0.893333
258 SAI 0.453608 0.753247
259 GDP AF3 0.451923 0.8375
260 Y3J 0.451219 0.746479
261 M24 0.45082 0.848101
262 4YB 0.45045 0.758621
263 7D7 0.45 0.763889
264 SMM 0.45 0.722892
265 PAX 0.448 0.82716
266 P6G FDA 0.447552 0.790698
267 P33 FDA 0.447552 0.764045
268 A C A C 0.446281 0.894737
269 NO7 0.445545 0.88
270 7C5 0.445455 0.815789
271 EEM 0.444444 0.728395
272 A5D 0.443299 0.808219
273 KOY 0.442478 0.824324
274 ARU 0.442308 0.8125
275 NAJ 0.440678 0.957747
276 NAP 0.44 0.944444
277 NEC 0.43956 0.743243
278 YLY 0.439024 0.807229
279 GDP ALF 0.438095 0.8375
280 NA7 0.438095 0.905405
281 ALF GDP 0.438095 0.8375
282 DAT 0.4375 0.853333
283 GEK 0.436893 0.779221
284 TAP 0.436508 0.906667
285 FAD NBA 0.436242 0.723404
286 S7M 0.435644 0.728395
287 WSA 0.434783 0.785714
288 U A C C 0.434426 0.906667
289 6IA 0.434343 0.8125
290 3AT 0.434343 0.916667
291 J4G 0.433962 0.893333
292 NHD 0.433333 0.930556
293 EAD 0.433071 0.848101
294 NA0 0.433071 0.931507
295 0UM 0.432692 0.716049
296 AMZ 0.431818 0.863014
297 A3S 0.431579 0.808219
298 P1H 0.430769 0.82716
299 AAT 0.43 0.725
300 N0B 0.428571 0.817073
301 GDP 7MG 0.428571 0.883117
302 PGS 0.427083 0.857143
303 2SA 0.425743 0.88
304 A6D 0.424528 0.7625
305 N5O 0.423913 0.76
306 DA 0.423913 0.851351
307 D5M 0.423913 0.851351
308 AVV 0.423077 0.87013
309 A3T 0.42268 0.819444
310 649 0.422414 0.741573
311 NIA 0.422222 0.820513
312 U A A U 0.421875 0.906667
313 DTP 0.42 0.853333
314 AAM 0.419355 0.942857
315 8Q2 0.418803 0.75
316 C2R 0.41573 0.851351
317 62X 0.415094 0.682353
318 EO7 0.414894 0.785714
319 N5A 0.414894 0.733333
320 NFD 0.414634 0.906667
321 LQJ 0.414414 0.916667
322 128 0.413793 0.752941
323 FB0 0.413534 0.761364
324 GGZ 0.413462 0.8
325 101 0.413043 0.851351
326 TM1 0.412844 0.771084
327 3AD 0.411765 0.828571
328 APC G U 0.41129 0.857143
329 K15 0.411215 0.698795
330 0WD 0.409836 0.87013
331 6K6 0.409524 0.902778
332 S8M 0.409524 0.75641
333 ALF 5GP 0.407767 0.8375
334 FDA 0.407407 0.788235
335 AIR 0.406977 0.873239
336 A U C C 0.406015 0.894737
337 NZQ 0.404959 0.858974
338 6FA 0.404412 0.817073
339 SXZ 0.40367 0.728395
340 ACK 0.402174 0.859155
341 QQY 0.402174 0.813333
342 7DD 0.402062 0.929577
343 N6P 0.401869 0.887324
344 NJP 0.401639 0.918919
345 9JJ 0.4 0.860759
346 SLU 0.4 0.767442
347 KB1 0.4 0.716049
348 HMG 0.4 0.790698
Ligand no: 2; Ligand: NB8; Similar ligands found: 339
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 8LH 0.717391 0.886076
8 8QN 0.712766 0.909091
9 FA5 0.707071 0.935065
10 YAP 0.707071 0.923077
11 4AD 0.705263 0.948052
12 CA0 0.704545 0.922078
13 KG4 0.696629 0.922078
14 YLP 0.692308 0.847059
15 PAJ 0.6875 0.865854
16 8LQ 0.684211 0.910256
17 YLB 0.672897 0.847059
18 A2D 0.666667 0.896104
19 PTJ 0.66 0.853659
20 8LE 0.659574 0.875
21 YLC 0.657407 0.86747
22 AN2 0.655556 0.909091
23 BA3 0.651685 0.896104
24 TYM 0.648148 0.935065
25 AHX 0.646465 0.974026
26 DLL 0.646465 0.909091
27 AP5 0.644444 0.896104
28 B4P 0.644444 0.896104
29 ADP 0.644444 0.896104
30 YLA 0.63964 0.847059
31 AT4 0.637363 0.8625
32 AYB 0.633929 0.837209
33 A 0.632184 0.87013
34 AMP 0.632184 0.87013
35 ANP 0.631579 0.897436
36 ADX 0.630435 0.811765
37 M33 0.630435 0.884615
38 SAP 0.62766 0.851852
39 AGS 0.62766 0.851852
40 TXA 0.627451 0.910256
41 OOB 0.626263 0.909091
42 ATP 0.623656 0.896104
43 ACP 0.623656 0.897436
44 HEJ 0.623656 0.896104
45 50T 0.623656 0.860759
46 WAQ 0.617647 0.8875
47 5FA 0.617021 0.896104
48 AQP 0.617021 0.896104
49 APR 0.617021 0.921053
50 AR6 0.617021 0.921053
51 PRX 0.617021 0.82716
52 00A 0.613861 0.864198
53 AU1 0.612903 0.897436
54 ABM 0.611111 0.848101
55 45A 0.611111 0.848101
56 AD9 0.610526 0.873418
57 3UK 0.607843 0.897436
58 SRA 0.606742 0.82716
59 XAH 0.603774 0.91358
60 PR8 0.601942 0.878049
61 B5V 0.601942 0.886076
62 ACQ 0.597938 0.897436
63 AP2 0.597826 0.886076
64 A12 0.597826 0.886076
65 YLY 0.596639 0.837209
66 1ZZ 0.596154 0.823529
67 B5Y 0.59434 0.875
68 B5M 0.59434 0.875
69 9ZD 0.594059 0.8875
70 9ZA 0.594059 0.8875
71 HQG 0.59 0.909091
72 A1R 0.588235 0.8875
73 ATF 0.585859 0.8625
74 SON 0.585106 0.910256
75 9SN 0.584906 0.853659
76 DAL AMP 0.584158 0.884615
77 N0B 0.581967 0.847059
78 GAP 0.581633 0.873418
79 3OD 0.580952 0.922078
80 6YZ 0.58 0.897436
81 OAD 0.576923 0.922078
82 4UV 0.568807 0.875
83 A22 0.568627 0.884615
84 ADP MG 0.568421 0.87013
85 APC 0.56701 0.886076
86 FYA 0.566038 0.884615
87 T99 0.565657 0.8625
88 TAT 0.565657 0.8625
89 OZV 0.563107 0.896104
90 5SV 0.563107 0.788235
91 25A 0.563107 0.871795
92 9X8 0.561905 0.875
93 RBY 0.561224 0.910256
94 APC MG 0.561224 0.848101
95 ADV 0.561224 0.910256
96 7MD 0.558559 0.91358
97 4UU 0.558559 0.875
98 ADQ 0.557692 0.897436
99 A3R 0.557692 0.8875
100 MAP 0.553398 0.875
101 LAQ 0.548673 0.823529
102 IOT 0.547009 0.837209
103 ATP MG 0.545455 0.87013
104 ADP PO3 0.545455 0.87013
105 48N 0.54386 0.9
106 4UW 0.53913 0.843373
107 BIS 0.537037 0.841463
108 SSA 0.533981 0.827586
109 F2R 0.533333 0.869048
110 25L 0.53211 0.884615
111 ARG AMP 0.530973 0.835294
112 DSZ 0.528302 0.848837
113 LMS 0.526882 0.790698
114 TYR AMP 0.526786 0.898734
115 DQV 0.526316 0.909091
116 TXD 0.525862 0.864198
117 6V0 0.525862 0.853659
118 NAI 0.525862 0.864198
119 G5A 0.524752 0.806818
120 BT5 0.52459 0.837209
121 ALF ADP 0.524272 0.807229
122 ADP ALF 0.524272 0.807229
123 A5A 0.524272 0.793103
124 5CA 0.52381 0.827586
125 TSB 0.52381 0.804598
126 G3A 0.522124 0.853659
127 TXE 0.521368 0.864198
128 80F 0.520325 0.869048
129 VO4 ADP 0.519231 0.860759
130 ADP VO4 0.519231 0.860759
131 MYR AMP 0.518182 0.802326
132 G5P 0.517544 0.853659
133 AFH 0.517544 0.865854
134 GA7 0.517544 0.8625
135 COD 0.516393 0.818182
136 VMS 0.514286 0.775281
137 54H 0.514286 0.775281
138 52H 0.514286 0.766667
139 NSS 0.514019 0.827586
140 LSS 0.514019 0.788889
141 GTA 0.513043 0.823529
142 NAX 0.512821 0.878049
143 NXX 0.512821 0.910256
144 DND 0.512821 0.910256
145 5AS 0.510204 0.747253
146 53H 0.509434 0.766667
147 OMR 0.508475 0.835294
148 M24 0.507937 0.878049
149 7MC 0.504202 0.891566
150 AP0 0.504202 0.831325
151 AOC 0.5 0.759494
152 GSU 0.5 0.827586
153 AMP DBH 0.5 0.85
154 KAA 0.5 0.78022
155 A A 0.5 0.848101
156 8PZ 0.495575 0.827586
157 JB6 0.495495 0.841463
158 NVA LMS 0.495413 0.78022
159 5X8 0.49505 0.794872
160 5CD 0.494382 0.74359
161 RAB 0.494253 0.779221
162 XYA 0.494253 0.779221
163 ADN 0.494253 0.779221
164 T5A 0.491803 0.847059
165 YSA 0.491228 0.806818
166 LEU LMS 0.490909 0.78022
167 ADP BMA 0.490909 0.873418
168 2A5 0.490196 0.85
169 CNA 0.487805 0.910256
170 A4P 0.487603 0.806818
171 UP5 0.487395 0.875
172 TAD 0.487179 0.865854
173 P5A 0.486486 0.771739
174 J4G 0.486486 0.923077
175 PAP 0.485437 0.883117
176 AF3 ADP 3PG 0.483333 0.843373
177 5N5 0.483146 0.75641
178 AHZ 0.483051 0.802326
179 ATP A 0.482456 0.858974
180 ATP A A A 0.482456 0.858974
181 8X1 0.481481 0.78022
182 SFG 0.480392 0.782051
183 BTX 0.48 0.825581
184 NAD 0.48 0.884615
185 ADJ 0.479675 0.835294
186 UPA 0.479339 0.864198
187 4TC 0.479339 0.876543
188 LPA AMP 0.478992 0.802326
189 7D5 0.478723 0.790123
190 A4D 0.477778 0.75641
191 S7M 0.476636 0.72093
192 SMM 0.476636 0.715909
193 A3S 0.475248 0.818182
194 7D3 0.474747 0.814815
195 6RE 0.474227 0.72619
196 3DH 0.473684 0.716049
197 DTA 0.473118 0.728395
198 M2T 0.473118 0.682353
199 A3D 0.472441 0.873418
200 EEM 0.471698 0.72093
201 PPS 0.471698 0.790698
202 SA8 0.471154 0.738095
203 ATR 0.471154 0.87013
204 WSA 0.471074 0.816092
205 7D4 0.470588 0.814815
206 A3P 0.47 0.87013
207 NAE 0.469231 0.851852
208 9K8 0.469027 0.705263
209 139 0.467742 0.855422
210 SAH 0.466667 0.775
211 SAI 0.466667 0.765432
212 H1Q 0.466019 0.835443
213 NAQ 0.465649 0.831325
214 J7C 0.464646 0.73494
215 EP4 0.462366 0.698795
216 SAM 0.462264 0.72093
217 6MZ 0.46 0.835443
218 A2R 0.458716 0.909091
219 ITT 0.456311 0.846154
220 A2P 0.455446 0.857143
221 8Q2 0.455285 0.8
222 EAD 0.455224 0.855422
223 A3G 0.454545 0.807692
224 AR6 AR6 0.453782 0.871795
225 2SA 0.453704 0.935065
226 3AM 0.453608 0.833333
227 DZD 0.453125 0.865854
228 MTA 0.452632 0.716049
229 A3T 0.451923 0.782051
230 ZID 0.451128 0.873418
231 A3N 0.45 0.728395
232 IMO 0.45 0.833333
233 0UM 0.446429 0.729412
234 NAJ PZO 0.446154 0.831325
235 FB0 0.446043 0.791209
236 GJV 0.445545 0.717647
237 NO7 0.445455 0.839506
238 AMP NAD 0.445312 0.884615
239 6AD 0.444444 0.821429
240 NAJ PYZ 0.443609 0.793103
241 ARU 0.442478 0.77907
242 NDE 0.442029 0.8625
243 P1H 0.442029 0.835294
244 B1U 0.440678 0.763441
245 JSQ 0.439252 0.851852
246 HFD 0.439252 0.851852
247 NA7 0.438596 0.886076
248 DAT 0.438095 0.860759
249 4YB 0.438017 0.808989
250 HAX 0.437956 0.852273
251 GEK 0.4375 0.768293
252 V3L 0.435185 0.896104
253 6IA 0.435185 0.8
254 DTP 0.435185 0.860759
255 3AT 0.435185 0.896104
256 ZAS 0.434343 0.753086
257 G A A A 0.434109 0.809524
258 0WD 0.434109 0.853659
259 4TA 0.434109 0.813953
260 7C5 0.433333 0.780488
261 A7D 0.432692 0.740741
262 S4M 0.431373 0.659341
263 SXZ 0.431034 0.741176
264 62X 0.429825 0.696629
265 D3Y 0.428571 0.797468
266 FNK 0.428571 0.791209
267 2AM 0.428571 0.846154
268 MAO 0.427184 0.809524
269 K15 0.426087 0.712644
270 6C6 0.425926 0.839506
271 VRT 0.425926 0.777778
272 DSH 0.425743 0.714286
273 NEC 0.425743 0.7125
274 NDC 0.425532 0.831325
275 AVV 0.424779 0.853659
276 2VA 0.424528 0.7625
277 649 0.424 0.771739
278 A G 0.423077 0.819277
279 3NZ 0.422414 0.790123
280 DCA 0.421053 0.808989
281 ETB 0.421053 0.818182
282 U A G G 0.419847 0.819277
283 FDA 0.41958 0.797753
284 KOY 0.419355 0.7875
285 6FA 0.416667 0.825581
286 A5D 0.416667 0.728395
287 NVA 2AD 0.416667 0.768293
288 30N 0.416058 0.742268
289 AMX 0.416058 0.818182
290 OVE 0.415842 0.814815
291 NJP 0.415385 0.875
292 KB1 0.415254 0.729412
293 MHZ 0.415094 0.707865
294 COA 0.414815 0.808989
295 0T1 0.414815 0.808989
296 AV2 0.414414 0.825
297 A A A 0.413793 0.860759
298 U A 0.413534 0.841463
299 71V 0.413462 0.819277
300 CMX 0.413043 0.829545
301 SO8 0.412844 0.753086
302 6K6 0.412281 0.835443
303 DA 0.411765 0.835443
304 N5O 0.411765 0.772152
305 D5M 0.411765 0.835443
306 HZ2 0.41129 0.761905
307 FAS 0.410959 0.835294
308 SFD 0.410959 0.742268
309 FAD 0.410959 0.835294
310 NDP 0.410853 0.853659
311 OZP 0.408 0.759036
312 NZQ 0.407692 0.865854
313 TXP 0.407692 0.853659
314 5AD 0.406593 0.688312
315 COS 0.405797 0.791209
316 CAO 0.405797 0.782609
317 Z5A 0.405797 0.786517
318 AAT 0.405405 0.697674
319 LQJ 0.404959 0.848101
320 HY8 0.404762 0.761905
321 ODP 0.40458 0.843373
322 Y3J 0.404255 0.670886
323 C2R 0.40404 0.858974
324 AMZ 0.40404 0.846154
325 RFL 0.403974 0.806818
326 N5A 0.403846 0.746835
327 GGZ 0.403509 0.767442
328 KH3 0.403226 0.704545
329 SLU 0.402985 0.758242
330 SCO 0.402878 0.829545
331 7D7 0.402174 0.6875
332 PGS 0.401869 0.797619
333 PO4 PO4 A A A A PO4 0.401709 0.833333
334 MCD 0.401408 0.811111
335 ACO 0.4 0.782609
336 62F 0.4 0.823529
337 FAM 0.4 0.791209
338 NPW 0.4 0.86747
339 FCX 0.4 0.802198
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2XGT; Ligand: NSS; Similar sites found with APoc: 12
This union binding pocket(no: 1) in the query (biounit: 2xgt.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 6AAD ATP 9.12409
2 6AAD 9TU 9.12409
3 3A5Y KAA 28.4058
4 3A5Y KAA 28.4058
5 3A5Y KAA 28.4058
6 1G51 AMO 29.1954
7 3E9I XAH 32.6437
8 3A5Z KAA 35.3659
9 3G1Z AMP 35.5828
10 3G1Z AMP 35.5828
11 3REU ATP 39.1156
12 3REU ATP 39.1156
Pocket No.: 2; Query (leader) PDB : 2XGT; Ligand: NSS; Similar sites found with APoc: 11
This union binding pocket(no: 2) in the query (biounit: 2xgt.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 5V59 8X1 2.75862
2 6AGT 9X0 5.28736
3 6AAD 9TU 9.12409
4 6AAD ATP 9.12409
5 3A5Y KAA 28.4058
6 3A5Y KAA 28.4058
7 1G51 AMO 29.1954
8 3G1Z AMP 35.5828
9 3G1Z AMP 35.5828
10 3REU ATP 39.1156
11 3REU ATP 39.1156
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