Receptor
PDB id Resolution Class Description Source Keywords
4E1B 1.8 Å NON-ENZYME: OTHER RE-REFINEMENT OF PDB ENTRY 2EQA - SUA5 PROTEIN FROM SULFOLOB TOKODAII WITH BOUND THREONYLCARBAMOYLADENYLATE SULFOLOBUS TOKODAII YRDC/RIBB FOLD YRDC DOMAIN SUA5 DOMAIN TRNA MODIFICATION BINDING PROTEIN
Ref.: THE O-CARBAMOYLTRANSFERASE TOBZ CATALYZES AN ANCIEN ENZYMATIC REACTION. ANGEW.CHEM.INT.ED.ENGL. V. 51 4046 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:2001;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
TXA A:2002;
Valid;
none;
submit data
492.335 C15 H21 N6 O11 P C[C@H...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2EQA 1.8 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE HYPOTHETICAL SUA5 PROTEIN FROM SULFOLOBUS TOKODAII SULFOLOBUS TOKODAII YRDC/RIBB FOLD YRDC DOMAIN SUA5 DOMAIN STRUCTURAL GENOMICS NPPSFA NATIONAL PROJECT ON PROTEIN STRUCTURAL AND FUNCTIONAL ANALYSES RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE RSGI RNA BINDING PROTEIN
Ref.: X-RAY CRYSTAL STRUCTURE OF A HYPOTHETICAL SUA5 PROTEIN FROM SULFOLOBUS TOKODAII STRAIN 7 PROTEINS V. 70 1108 2008
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1579 families.
1 2EQA - AMP C10 H14 N5 O7 P c1nc(c2c(n....
2 4E1B - TXA C15 H21 N6 O11 P C[C@H]([C@....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1312 families.
1 2EQA - AMP C10 H14 N5 O7 P c1nc(c2c(n....
2 4E1B - TXA C15 H21 N6 O11 P C[C@H]([C@....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1130 families.
1 2EQA - AMP C10 H14 N5 O7 P c1nc(c2c(n....
2 4E1B - TXA C15 H21 N6 O11 P C[C@H]([C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: TXA; Similar ligands found: 339
No: Ligand ECFP6 Tc MDL keys Tc
1 TXA 1 1
2 KG4 0.715909 0.959459
3 5AL 0.714286 0.972603
4 8QN 0.712766 0.972603
5 CA0 0.704545 0.986301
6 8LQ 0.702128 0.946667
7 8LH 0.698925 0.946667
8 8LE 0.677419 0.934211
9 PAJ 0.670103 0.923077
10 A2D 0.666667 0.932432
11 SRP 0.663158 0.921053
12 PTJ 0.66 0.910256
13 AMO 0.653061 0.946667
14 BA3 0.651685 0.932432
15 M33 0.648352 0.945946
16 AP5 0.644444 0.932432
17 ADP 0.644444 0.932432
18 B4P 0.644444 0.932432
19 9ZA 0.642857 0.922078
20 9ZD 0.642857 0.922078
21 OOB 0.642857 0.945946
22 ACP 0.641304 0.907895
23 AT4 0.637363 0.896104
24 AN2 0.637363 0.92
25 4AD 0.636364 0.934211
26 PRX 0.634409 0.883117
27 LAD 0.633663 0.875
28 WAQ 0.633663 0.897436
29 A 0.632184 0.905405
30 AMP 0.632184 0.905405
31 ADX 0.630435 0.841463
32 DLL 0.63 0.945946
33 00A 0.63 0.897436
34 ABM 0.629214 0.906667
35 45A 0.629214 0.906667
36 ME8 0.627451 0.876543
37 NB8 0.627451 0.910256
38 1ZZ 0.627451 0.876543
39 ATP 0.623656 0.932432
40 HEJ 0.623656 0.932432
41 50T 0.623656 0.894737
42 AQP 0.617021 0.932432
43 AR6 0.617021 0.958904
44 APR 0.617021 0.958904
45 5FA 0.617021 0.932432
46 48N 0.614679 0.935065
47 ANP 0.614583 0.907895
48 AHX 0.613861 0.886076
49 AU1 0.612903 0.907895
50 AGS 0.610526 0.884615
51 SAP 0.610526 0.884615
52 AD9 0.610526 0.907895
53 B5Y 0.609524 0.934211
54 3UK 0.607843 0.933333
55 LAQ 0.605505 0.853659
56 B5V 0.601942 0.921053
57 PR8 0.601942 0.864198
58 DAL AMP 0.6 0.945946
59 ACQ 0.597938 0.907895
60 AP2 0.597826 0.896104
61 A12 0.597826 0.896104
62 FA5 0.59434 0.921053
63 YAP 0.59434 0.909091
64 B5M 0.59434 0.934211
65 OAD 0.592233 0.986301
66 HQG 0.59 0.945946
67 SRA 0.588889 0.858974
68 XAH 0.588785 0.831325
69 IOT 0.587719 0.823529
70 ATF 0.585859 0.896104
71 YLP 0.585586 0.855422
72 9SN 0.584906 0.886076
73 TSB 0.584158 0.833333
74 GAP 0.581633 0.907895
75 3OD 0.580952 0.986301
76 6YZ 0.58 0.907895
77 5SV 0.578431 0.839506
78 9X8 0.576923 0.934211
79 A3R 0.572816 0.873418
80 4UU 0.572727 0.909091
81 YLC 0.570175 0.876543
82 YLB 0.570175 0.855422
83 YLA 0.568965 0.855422
84 4UV 0.568807 0.909091
85 A22 0.568627 0.92
86 ADP MG 0.568421 0.905405
87 SON 0.568421 0.921053
88 APC 0.56701 0.896104
89 4UW 0.566372 0.898734
90 TAT 0.565657 0.896104
91 T99 0.565657 0.896104
92 AYB 0.564103 0.86747
93 OZV 0.563107 0.932432
94 25A 0.563107 0.906667
95 ADV 0.561224 0.921053
96 RBY 0.561224 0.921053
97 F2R 0.559322 0.855422
98 GA7 0.558559 0.896104
99 ADQ 0.557692 0.933333
100 A1R 0.557692 0.873418
101 A5A 0.554455 0.821429
102 DQV 0.553571 0.945946
103 BIS 0.551402 0.873418
104 FYA 0.551402 0.87013
105 BT5 0.55 0.823529
106 TYM 0.547826 0.921053
107 OMR 0.547826 0.888889
108 MYR AMP 0.546296 0.853659
109 ATP MG 0.545455 0.905405
110 APC MG 0.545455 0.881579
111 ADP PO3 0.545455 0.905405
112 54H 0.543689 0.802326
113 52H 0.543689 0.793103
114 VMS 0.543689 0.802326
115 LMS 0.543478 0.797619
116 5AS 0.541667 0.772727
117 G5A 0.54 0.772727
118 ADP ALF 0.539216 0.8375
119 ALF ADP 0.539216 0.8375
120 53H 0.538462 0.793103
121 MAP 0.538462 0.884615
122 TXE 0.534483 0.897436
123 YLY 0.532258 0.845238
124 25L 0.53211 0.92
125 AFH 0.530973 0.875
126 7MD 0.530973 0.876543
127 ARG AMP 0.530973 0.821429
128 LPA AMP 0.530435 0.831325
129 AP0 0.529915 0.886076
130 7MC 0.529915 0.878049
131 COD 0.528926 0.825581
132 LSS 0.528302 0.775281
133 NAX 0.525862 0.864198
134 DND 0.525862 0.946667
135 NXX 0.525862 0.946667
136 TXD 0.525862 0.897436
137 JB6 0.522936 0.85
138 G3A 0.522124 0.886076
139 ADP VO4 0.519231 0.894737
140 SSA 0.519231 0.793103
141 VO4 ADP 0.519231 0.894737
142 LEU LMS 0.518519 0.766667
143 G5P 0.517544 0.886076
144 DSZ 0.514019 0.813953
145 TYR AMP 0.513274 0.884615
146 GTA 0.513043 0.876543
147 6V0 0.512821 0.886076
148 NAI 0.512821 0.897436
149 5CA 0.509434 0.793103
150 NVA LMS 0.509259 0.766667
151 80F 0.508065 0.855422
152 N0B 0.507812 0.855422
153 ADP BMA 0.504587 0.907895
154 ADJ 0.504132 0.843373
155 CNA 0.5 0.921053
156 FB0 0.5 0.797753
157 A4P 0.5 0.813953
158 GSU 0.5 0.793103
159 AOC 0.5 0.789474
160 TAD 0.5 0.875
161 NSS 0.5 0.793103
162 NAQ 0.5 0.886076
163 5N5 0.5 0.786667
164 A A 0.5 0.881579
165 KAA 0.5 0.747253
166 AMP DBH 0.5 0.883117
167 A3D 0.496 0.933333
168 AF3 ADP 3PG 0.495798 0.851852
169 AHZ 0.495726 0.853659
170 8X1 0.495327 0.747253
171 5X8 0.49505 0.779221
172 5CD 0.494382 0.773333
173 RAB 0.494253 0.810811
174 ADN 0.494253 0.810811
175 XYA 0.494253 0.810811
176 BTX 0.491935 0.811765
177 T5A 0.491803 0.855422
178 6RE 0.489583 0.710843
179 3DH 0.489362 0.766234
180 UP5 0.487395 0.909091
181 P5A 0.486486 0.73913
182 SA8 0.485437 0.743902
183 M24 0.484375 0.864198
184 SXZ 0.482143 0.746988
185 SFG 0.480392 0.766234
186 A3T 0.480392 0.837838
187 NAD 0.48 0.92
188 4TC 0.479339 0.886076
189 UPA 0.479339 0.897436
190 7D5 0.478723 0.820513
191 YSA 0.478261 0.772727
192 EP4 0.478261 0.746835
193 A4D 0.477778 0.786667
194 S7M 0.476636 0.72619
195 DZD 0.47619 0.875
196 2A5 0.475728 0.858974
197 7D3 0.474747 0.846154
198 DTA 0.473118 0.75641
199 M2T 0.473118 0.728395
200 EEM 0.471698 0.72619
201 ATR 0.471154 0.905405
202 PAP 0.471154 0.918919
203 7D4 0.470588 0.846154
204 A3P 0.47 0.905405
205 8PZ 0.469565 0.793103
206 ATP A 0.469565 0.893333
207 ATP A A A 0.469565 0.893333
208 NAE 0.469231 0.909091
209 9K8 0.469027 0.747253
210 MTA 0.468085 0.766234
211 139 0.467742 0.864198
212 2SA 0.46729 0.921053
213 SAH 0.466667 0.759494
214 SAI 0.466667 0.75
215 EAD 0.466165 0.8875
216 AR6 AR6 0.466102 0.906667
217 H1Q 0.466019 0.868421
218 J7C 0.464646 0.719512
219 NDE 0.463235 0.896104
220 SMM 0.462963 0.72093
221 SAM 0.462264 0.72619
222 4YB 0.462185 0.775281
223 ZID 0.462121 0.907895
224 J4G 0.460177 0.909091
225 GJV 0.46 0.702381
226 6MZ 0.46 0.893333
227 S4M 0.46 0.662921
228 0UM 0.459459 0.73494
229 A2R 0.458716 0.945946
230 PPS 0.457944 0.819277
231 6AD 0.457944 0.875
232 ITT 0.456311 0.88
233 A2P 0.455446 0.891892
234 62X 0.455357 0.701149
235 A3G 0.454545 0.792208
236 3AM 0.453608 0.866667
237 B1U 0.452991 0.731183
238 JSQ 0.45283 0.884615
239 HFD 0.45283 0.884615
240 P1H 0.452555 0.865854
241 A3N 0.45 0.75641
242 V3L 0.448598 0.932432
243 6IA 0.448598 0.807229
244 WSA 0.447154 0.781609
245 AMP NAD 0.445312 0.92
246 ARU 0.442478 0.829268
247 MAO 0.441176 0.752941
248 NEC 0.44 0.763158
249 DSH 0.44 0.698795
250 FDA 0.439716 0.825581
251 NA7 0.438596 0.896104
252 K15 0.438596 0.717647
253 FNK 0.438356 0.797753
254 AVV 0.4375 0.8625
255 6FA 0.43662 0.855422
256 IMO 0.435644 0.866667
257 649 0.435484 0.73913
258 3AT 0.435185 0.906667
259 NAJ PZO 0.435115 0.839506
260 ZAS 0.434343 0.7375
261 7C5 0.433333 0.810127
262 A3S 0.432692 0.802632
263 A7D 0.432692 0.746835
264 NO7 0.432432 0.871795
265 8Q2 0.432 0.766667
266 KOY 0.430894 0.818182
267 SFD 0.430556 0.747368
268 MHZ 0.428571 0.693182
269 2AM 0.428571 0.88
270 NDC 0.425532 0.8625
271 GEK 0.424779 0.753086
272 2VA 0.424528 0.815789
273 G A A A 0.423077 0.839506
274 4TA 0.423077 0.821429
275 5AD 0.422222 0.739726
276 NAJ PYZ 0.422222 0.8
277 MCD 0.421429 0.818182
278 DCA 0.421053 0.816092
279 ETB 0.421053 0.825581
280 FAS 0.42069 0.865854
281 FAD 0.42069 0.865854
282 FCX 0.42029 0.808989
283 CMC 0.41844 0.818182
284 C2R 0.418367 0.893333
285 AAT 0.418182 0.682353
286 N5A 0.417476 0.730769
287 NVA 2AD 0.416667 0.775
288 A5D 0.416667 0.75641
289 LQJ 0.416667 0.881579
290 GGZ 0.415929 0.795181
291 OVE 0.415842 0.846154
292 P5F 0.415584 0.837209
293 NJP 0.415385 0.909091
294 ODP 0.415385 0.875
295 KB1 0.415254 0.714286
296 COA 0.414815 0.816092
297 0T1 0.414815 0.816092
298 KH3 0.414634 0.709302
299 AV2 0.414414 0.857143
300 SCO 0.413043 0.837209
301 CMX 0.413043 0.837209
302 SO8 0.412844 0.805195
303 6C6 0.412844 0.825
304 0WD 0.412214 0.886076
305 A G 0.412214 0.85
306 N5O 0.411765 0.75641
307 OXK 0.411348 0.818182
308 SOP 0.411348 0.797753
309 DAT 0.411215 0.846154
310 NPW 0.410853 0.853659
311 FAM 0.410072 0.797753
312 MCA 0.409722 0.808989
313 62F 0.409396 0.853659
314 DTP 0.409091 0.846154
315 U A G G 0.409091 0.85
316 OZP 0.408 0.743902
317 TXP 0.407692 0.886076
318 FME ARG THR GLY ASN ALA ASP ND7 0.407186 0.782609
319 2CP 0.406897 0.808989
320 FAY 0.406667 0.876543
321 CAO 0.405797 0.788889
322 AMX 0.405797 0.825581
323 30N 0.405797 0.747368
324 COS 0.405797 0.797753
325 2MC 0.405594 0.763441
326 Y3J 0.404255 0.697368
327 AMZ 0.40404 0.88
328 RFL 0.403974 0.835294
329 U A 0.402985 0.873418
330 PGS 0.401869 0.82716
331 A A A 0.401709 0.87013
332 KGP 0.401408 0.72449
333 YZS 0.401408 0.72449
334 F2N 0.401274 0.806818
335 VRT 0.4 0.78481
336 HZ2 0.4 0.746988
337 NDP 0.4 0.886076
338 71V 0.4 0.85
339 ACO 0.4 0.788889
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2EQA; Ligand: AMP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 2eqa.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
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