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Receptor
PDB id Resolution Class Description Source Keywords
1XPJ 2.3 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF MCSG TARGET APC26283 FROM VIBRIO CHOLER VIBRIO CHOLERAE STRUCTURAL GENOMICS HYPOTHETICAL PROTEIN MCSG PROTEIN STRINITIATIVE PSI MIDWEST CENTER FOR STRUCTURAL GENOMICS UNFUNCTION
Ref.: CRYSTAL STRUCTURE OF MCSG TARGET APC26283 FROM VIBR CHOLERAE TO BE PUBLISHED
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
TLA A:303;
B:301;
C:302;
D:304;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
150.087 C4 H6 O6 [C@@H...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1XPJ 2.3 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF MCSG TARGET APC26283 FROM VIBRIO CHOLER VIBRIO CHOLERAE STRUCTURAL GENOMICS HYPOTHETICAL PROTEIN MCSG PROTEIN STRINITIATIVE PSI MIDWEST CENTER FOR STRUCTURAL GENOMICS UNFUNCTION
Ref.: CRYSTAL STRUCTURE OF MCSG TARGET APC26283 FROM VIBR CHOLERAE TO BE PUBLISHED
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 1XPJ - TLA C4 H6 O6 [C@@H]([C@....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 1XPJ - TLA C4 H6 O6 [C@@H]([C@....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 1XPJ - TLA C4 H6 O6 [C@@H]([C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: TLA; Similar ligands found: 13
No: Ligand ECFP6 Tc MDL keys Tc
1 TAR 1 1
2 TLA 1 1
3 SRT 1 1
4 RAT 0.588235 1
5 LGT 0.588235 1
6 GAE 0.588235 1
7 LAC 0.5 0.611111
8 2OP 0.5 0.611111
9 IPM 0.47619 0.8
10 LFC 0.434783 0.777778
11 ICT 0.416667 0.727273
12 DXX 0.411765 0.777778
13 MAK 0.4 0.941176
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1XPJ; Ligand: TLA; Similar sites found with APoc: 449
This union binding pocket(no: 1) in the query (biounit: 1xpj.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 5CB3 APR None
2 3IA4 MTX None
3 4XPL ACO None
4 5HZ9 5M8 None
5 3EWR APR None
6 1XP8 AGS None
7 2W9S NDP None
8 2OFW ADX None
9 2PEZ DAT None
10 5G4L NDP None
11 5U1M ACE LEU TYR ALA SER SER ASN PRO ALA PTR None
12 6B5K TYD None
13 2PY4 DUP None
14 1FP6 ADP None
15 1UJ5 5RP None
16 1FKB RAP None
17 1Z0A GDP None
18 3BOS CDP 1.5873
19 3RG9 WRA 1.5873
20 3RG9 NDP 1.5873
21 1VHT BA3 1.5873
22 1GRN GDP 1.5873
23 3UIE ANP 1.5873
24 1QF9 C5P 1.5873
25 1QF9 ALF 1.5873
26 1QF9 ADP 1.5873
27 1G6O ADP 1.5873
28 1SAY PYR 2.38095
29 3RWP ABQ 2.38095
30 2YC5 6BC 2.38095
31 1F6B GDP 2.38095
32 1JJV ATP 2.38095
33 3REF GDP 2.38095
34 2A2C ADP 2.38095
35 2A2C NG1 2.38095
36 1E96 GTP 2.38095
37 4U82 FPS 2.38095
38 1S7N COA 2.38095
39 2QV6 GTP 2.38095
40 5LOF 70R 2.38095
41 3EWP APR 2.38095
42 1RYH GNP 2.38095
43 3B5J 12D 2.38095
44 3SBD GNP 2.38095
45 1MH1 GNP 2.38095
46 1J6X MET 2.38095
47 4JWH SAH 3.1746
48 4JWF SAH 3.1746
49 1W78 PD8 3.1746
50 4KCL H4B 3.1746
51 4KCL H44 3.1746
52 1W78 ADP 3.1746
53 2VTD LKM 3.1746
54 4J5R A1R 3.1746
55 1H9G COA MYR 3.1746
56 4KQI RBZ 3.1746
57 4KQI NIO 3.1746
58 4IQY AR6 3.1746
59 1JGT CMA 3.1746
60 1JGT APC 3.1746
61 3ZL8 ADP 3.1746
62 1H5T TYD 3.1746
63 1SC6 NAD 3.1746
64 5HR5 ADP 3.1746
65 3HWW AKG 3.1746
66 2PX8 SAH 3.1746
67 3LKZ SFG 3.1746
68 5TUF FAD 3.1746
69 4RD0 GDP 3.1746
70 2YOH WMJ 3.1746
71 1H5R THM 3.1746
72 2J5V PCA 3.1746
73 5UY8 AMZ 3.1746
74 1BO4 COA 3.1746
75 3KJS NAP 3.1746
76 2O4C NAD 3.1746
77 1RKD RIB 3.96825
78 1RKD ADP 3.96825
79 3SIG AR6 3.96825
80 4LIK CIT 3.96825
81 5XK9 DMA 3.96825
82 2JJK R15 3.96825
83 5XK9 GST 3.96825
84 3IX9 MTX 3.96825
85 5UIV ADP 3.96825
86 3QKD HI0 3.96825
87 3AD8 FAD 3.96825
88 3AD8 PYC 3.96825
89 6BSX GDP 3.96825
90 1YKI NFZ 3.96825
91 1O5R FR9 3.96825
92 1MKY GDP 3.96825
93 3KEE 30B 3.96825
94 1Q19 SSC 3.96825
95 4U5X GNP 3.96825
96 1Z83 AP5 3.96825
97 3SUD SUE 3.96825
98 2HFK E4H 3.96825
99 3GBR PRP 3.96825
100 4U00 ADP 3.96825
101 1RZ1 FAD 3.96825
102 2EIX FAD 3.96825
103 2ZQO NGA 3.96825
104 4FRZ ADP 3.96825
105 6BQK Z1E 3.96825
106 4WOP CTP 4
107 5KSP GDP 4.21053
108 4XF6 ADP 4.7619
109 4XF6 INS 4.7619
110 4XF6 LIP 4.7619
111 2BFR ADP 4.7619
112 3EC1 GDP 4.7619
113 4KFU ACP 4.7619
114 2HW1 ANP 4.7619
115 4EN4 ATP 4.7619
116 4EN4 GT1 4.7619
117 4EN4 GT0 4.7619
118 4C3Y ANB 4.7619
119 2BO4 FLC 4.7619
120 4UA3 COA 4.7619
121 4D42 NAP 4.7619
122 1UJ2 ADP 4.7619
123 1UJ2 C5P 4.7619
124 2GKS ADP 4.7619
125 5AK0 8V1 4.7619
126 4D42 W0I 4.7619
127 2VBQ BSJ 4.7619
128 3NC9 TR3 4.7619
129 6C28 WCA 4.7619
130 5X40 ACP 4.7619
131 6G14 G4P 4.7619
132 3AB4 THR 4.7619
133 1ZUI SKM 4.7619
134 1JJ7 ADP 4.7619
135 2FAV APR 4.7619
136 2DTJ THR 4.7619
137 2WJH FLC 4.7619
138 2VCH UDP 4.7619
139 1U8Z GDP 4.7619
140 2WJH GDP 4.7619
141 2ED4 FAD 4.7619
142 1GOJ ADP 4.7619
143 2B99 RDL 4.7619
144 3COB ADP 4.7619
145 2ZFZ ARG 5.06329
146 3KPE TM3 5.12821
147 4XDA RIB 5.55556
148 4XDA ADP 5.55556
149 1PFK ADP 5.55556
150 1IYE PGU 5.55556
151 3ZJ0 ACO 5.55556
152 4C12 ADP 5.55556
153 5EOW FAD 5.55556
154 5YB7 ORN 5.55556
155 1REO FAD 5.55556
156 5YB7 FAD 5.55556
157 3BZ3 YAM 5.55556
158 5WO4 B7V 5.55556
159 2Y65 ADP 5.55556
160 3TMK T5A 5.55556
161 2KIN ADP 5.55556
162 3T12 GDP ALF 5.55556
163 6DIO NAD 5.55556
164 1D2E GDP 5.55556
165 5HPY GDP 5.55556
166 4R2I ANP 5.55556
167 1OW3 GDP 5.55556
168 1ZJ6 G3D 5.55556
169 2VHW NAI 5.55556
170 1DAK DPU 5.55556
171 1DAK ADP 5.55556
172 5IRC GDP 5.55556
173 4R43 GDP 5.55556
174 2GCO GNP 5.55556
175 4OOP DUP 5.55556
176 1TX4 ALF GDP 5.55556
177 1B8U OAA 5.55556
178 4IDN GNP 5.55556
179 5FAL COA 5.55556
180 5FAL SKT 5.55556
181 1X6V ADP 5.55556
182 1M7G ADP 5.55556
183 1M7G ADX 5.55556
184 1PUJ GNP 5.55556
185 1K6M AGS 5.55556
186 4IOK ADP 5.55556
187 4IOK XPO 5.55556
188 2X06 NAD 5.55556
189 4U0S ADP 5.55556
190 1M7G AV2 5.55556
191 1QSM ACO 5.55556
192 1J78 OLA 5.55556
193 3A4M ADP 5.55556
194 5NM7 GLY 5.55556
195 2G77 GDP 5.55556
196 3FUR Z12 6.34921
197 2P4Y C03 6.34921
198 2JG1 ANP 6.34921
199 1IIM TTP 6.34921
200 1CR1 TTP 6.34921
201 6B3A SAM 6.34921
202 5DRB 5FJ 6.34921
203 2QEN ADP 6.34921
204 1ISI ENQ 6.34921
205 1ISI NCA 6.34921
206 4ASJ N6A 6.34921
207 1NN5 2DT 6.34921
208 1NN5 ANP 6.34921
209 4YSW FAD 6.34921
210 4YSW NAI 6.34921
211 3ZNN FAD 6.34921
212 3ZNN 4WL 6.34921
213 3ETG NDP 6.34921
214 3ETG GTP 6.34921
215 3ETG GLU 6.34921
216 1KGZ PRP 6.34921
217 3NRR D16 6.34921
218 4DCT GDP 6.34921
219 1FQJ GDP 6.34921
220 1F5N GNP 6.34921
221 3WXM GTP 6.34921
222 2E2P ADP 6.34921
223 4QC6 30N 6.34921
224 4AG9 COA 6.34921
225 1FQK GDP 6.34921
226 3ZS7 ATP 6.34921
227 4ZGR NGA GAL 6.34921
228 6APV 3L4 6.34921
229 1OWB NAD 6.34921
230 1L2T ATP 6.34921
231 2E9L PLM 6.34921
232 1H5S TMP 6.34921
233 4YMU ATP 6.34921
234 5BQI 4UL 6.34921
235 5BQI GSH 6.34921
236 2W5T GP9 6.34921
237 5OYH T99 6.34921
238 1V8K ANP 6.34921
239 4TL6 ANP 6.34921
240 1D8T GDP 7.12468
241 4BR5 ANP 7.14286
242 6EDK 1YA 7.14286
243 2PGJ N1C 7.14286
244 2CWH PYC 7.14286
245 2CWH NDP 7.14286
246 4ZNL BEF ADP 7.14286
247 1Z4O GL1 7.14286
248 3K9U ACO 7.14286
249 4IV9 FAD 7.14286
250 3OV6 MK0 7.14286
251 4M4K XYP XYP 7.14286
252 4M4K GDU 7.14286
253 1BH2 GSP 7.14286
254 6AU6 GDP 7.14286
255 3ML1 MGD 7.14286
256 2OM2 GDP 7.14286
257 5L3S G 7.14286
258 6CRK GDP 7.14286
259 2C6Q IMP 7.14286
260 1Y3A GDP 7.14286
261 1GP2 GDP 7.14286
262 3ZIA ADP 7.14286
263 1LVW TYD 7.14286
264 4OAS 2SW 7.29167
265 5V7P SAH 7.36842
266 1FLM FMN 7.37705
267 2VOS ADP 7.93651
268 4PVV HO4 7.93651
269 4X9M FAD 7.93651
270 4LPG 1MV 7.93651
271 2XCF BBQ 7.93651
272 1SVM ATP 7.93651
273 2JEV NHQ 7.93651
274 4WP9 ZDA 7.93651
275 2R40 EPH 7.93651
276 2B4B COA 7.93651
277 5LX9 OLB 7.93651
278 1U0J ADP 7.93651
279 4FJU NAI 7.93651
280 5TB5 GDP 7.93651
281 2B4D COA 7.93651
282 5TAR GDP 7.93651
283 4NZ6 DGL 7.93651
284 5Y6N ADP 7.93651
285 4BFW ZVW 7.93651
286 1G6H ADP 7.93651
287 1C3Q TZE 7.93651
288 5ZBR ANP 7.93651
289 1V7Z CRN 7.93651
290 2WPW ACO 7.93651
291 2HCJ GDP 8.35821
292 6HH6 A3R 8.73016
293 3G5N PB2 8.73016
294 5CSM TRP 8.73016
295 1KUV CA5 8.73016
296 1BG2 ADP 8.73016
297 3WGT FAD 8.73016
298 3WGT QSC 8.73016
299 3MJH GTP 8.73016
300 6GAS FAD 8.73016
301 2FAH GDP 8.73016
302 5KSZ GCP 8.73016
303 5I0H ADP BEF 8.73016
304 5N69 ADP 8.73016
305 3EM0 CHD 8.73016
306 2DM6 NAP 8.73016
307 5TIV A3P 8.73016
308 5TWB FAD 8.73016
309 4HSE ADP 8.73016
310 3LOO B4P 9.52381
311 2ABS ACP 9.52381
312 2NYA MGD 9.52381
313 4C5N ACP 9.52381
314 4C5N PXL 9.52381
315 4AVB ACO 9.52381
316 4R3L COA 9.52381
317 4EIL FOL 9.52381
318 2QTV GNP 9.52381
319 3HIW C2X 9.52381
320 3T5G GDP 9.52381
321 2VVG ADP 9.52381
322 2QQ0 THM 9.52381
323 2QQ0 ANP 9.52381
324 4EIL NDP 9.52381
325 4GO7 THR 9.52381
326 3HAZ NAD 9.52381
327 3NHB ADP 9.52381
328 2QQ0 ADP 9.52381
329 2QQ0 TMP 9.52381
330 5ZXD ATP 9.52381
331 2W2X GSP 9.67742
332 6C0B MLI 10.2564
333 5X1M THG 10.3175
334 5X1M DHB 10.3175
335 5N5U AMP 10.3175
336 1XMV ADP 10.3175
337 1SVI GDP 10.3175
338 4JB1 NAP 10.3175
339 4JB1 FAD 10.3175
340 3RUV ANP 10.3175
341 1KK8 BEF ADP 10.3175
342 6CS8 F9Y 10.3175
343 4CDN FO1 10.3175
344 2DT9 THR 11.1111
345 1M4I COA 11.1111
346 1M4I PAP 11.1111
347 1M4I KAN 11.1111
348 1V9N NDP 11.1111
349 4M0R 644 11.1111
350 1ZVW PRP 11.1111
351 1H82 FAD 11.1111
352 1H82 GZZ 11.1111
353 1QHG ATP 11.1111
354 1I4D GDP 11.1111
355 1GWN GTP 11.1111
356 1M7B GTP 11.1111
357 1XX6 ADP 11.1111
358 2AWN ADP 11.1111
359 3FVQ ATP 11.1111
360 3W5J GDP 11.1111
361 3PMA SCR 11.1111
362 4KCT FDP 11.1111
363 3KDU NKS 11.9048
364 5TS5 FAD 11.9048
365 1JBW ACQ 11.9048
366 1JBW TMF 11.9048
367 4KOT CE3 11.9048
368 4ZLU ADP 11.9048
369 4ZLU 4PW 11.9048
370 2IXE ATP 11.9048
371 4K49 HFQ 11.9048
372 1OXV ANP 11.9048
373 4L2H AR6 AR6 12.6984
374 2VAR ANP 12.6984
375 1Q3Q ANP 12.6984
376 1LPD ADE 12.6984
377 1PS9 NAP 12.6984
378 2V7Q ADP 12.6984
379 4OI4 ATP 12.6984
380 1SQ5 ADP 12.6984
381 4P3H 25G 12.6984
382 4NE2 ADP 12.6984
383 1W0J ADP 12.6984
384 1W0J ADP BEF 12.6984
385 3Q2K HP7 12.6984
386 2CK3 ADP 12.6984
387 1CXZ GSP 12.7907
388 1T5C ADP 13.4921
389 2D4V NAD 13.4921
390 5YRV 5AD 13.4921
391 1SKQ GDP 13.4921
392 3GVL SLB SIA 14.2857
393 2HCR AMP 14.2857
394 4B2D FBP 14.2857
395 3HQP FDP 14.2857
396 3N39 FMN 14.2857
397 1IT7 GUN 14.2857
398 5KDO GDP 14.8649
399 1V47 ADX 15.0794
400 1USF FMN 15.0794
401 1USF NAP 15.0794
402 2A5F GTP 15.0794
403 3AB3 GDP 15.0794
404 4I7E PEP 15.873
405 2XMY CDK 15.873
406 4OJ8 2TQ 15.873
407 4OJ8 AKG 15.873
408 3QXC ATP 16.6667
409 5BYK A3P 16.6667
410 5BYK OAQ 16.6667
411 2Q6B HR2 16.6667
412 1FFU CDP 17.4603
413 1FFU FAD 17.4603
414 1N71 COA 18.254
415 4LAE 1VM 18.254
416 4LAE NAP 18.254
417 1FIQ FAD 18.254
418 1V97 FAD 18.254
419 3NRZ FAD 18.254
420 3PQC GDP 18.254
421 1FIQ SAL 18.254
422 1FIQ MTE 18.254
423 5DM1 5D7 18.254
424 6B8B ADP 18.254
425 3NRZ MTE 18.254
426 3NRZ HPA 18.254
427 2Q4V ACO 18.254
428 1LVG ADP 19.0476
429 2DYS PGV 19.1489
430 2DYR PGV 19.1489
431 1RE0 GDP 19.8413
432 4HI0 GDP 19.8413
433 1O3Y GTP 21.4286
434 1J2J GTP 21.4286
435 4U9W COA 22.2222
436 1WA5 GTP 22.2222
437 4WZ6 ATP 22.2222
438 4CRZ ACO 23.0159
439 1P3D ANP 24.6032
440 5HES 032 24.6032
441 1GQY ACP 24.6032
442 4D86 ADP 25.3968
443 1RYI GOA 25.3968
444 1RYI FAD 25.3968
445 3RLF ANP 26.9841
446 5BV6 35G 27.7778
447 3H4S ADP 27.7778
448 2ZR9 DTP 28.5714
449 1AUA BOG 34.9206
Pocket No.: 2; Query (leader) PDB : 1XPJ; Ligand: TLA; Similar sites found with APoc: 48
This union binding pocket(no: 2) in the query (biounit: 1xpj.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 2JB2 PHE 1.5873
2 2JB2 FAD 1.5873
3 2NGR GDP 1.5873
4 3FYH ADP 1.5873
5 1NLI ADE 2.38095
6 3RAB GNP 2.38095
7 4B7P 9UN 2.38095
8 5TV6 PML 2.38095
9 1JI0 ATP 3.1746
10 1GY8 NAD 3.96825
11 4KM2 TOP 3.96825
12 4KM2 ATR 3.96825
13 2EVL GAL SPH EIC 3.96825
14 6EXS C3H 3.96825
15 5FG3 GDP 4.7619
16 4PFO ADP 4.7619
17 2QBU SAH 4.7619
18 2VB6 ADP BEF 4.7619
19 2CHG ANP 4.7619
20 3DC4 ADP 4.7619
21 2IID PHE 5.55556
22 2IID FAD 5.55556
23 2GCN GDP 5.55556
24 3RC3 ANP 5.55556
25 5IUW IAC 5.55556
26 4D81 ADP 5.55556
27 3FJO FMN 6.34921
28 1Q9I TEO 6.34921
29 1Q9I FAD 6.34921
30 1VKJ A3P 6.34921
31 3LXD FAD 6.34921
32 1KYZ SAH 6.34921
33 3ZIA ATP 7.14286
34 1R2Q GNP 7.93651
35 1TLG GAL 8
36 1G7S GDP 9.52381
37 1M2O GNP 9.52381
38 4NBU CAA 10.3175
39 4IHQ ADP 11.1111
40 2V7Q ATP 12.6984
41 2CK3 ANP 12.6984
42 3HU3 AGS 14.2857
43 4A1O JLN 14.2857
44 4Z87 GDP 15.873
45 1TU3 GNP 17.7215
46 1V97 MTE 18.254
47 5ZYN FAD 24.6032
48 3VZ3 SSN 26.9841
Pocket No.: 3; Query (leader) PDB : 1XPJ; Ligand: TLA; Similar sites found with APoc: 29
This union binding pocket(no: 3) in the query (biounit: 1xpj.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 1D5C GDP None
2 2J0V GDP None
3 5TUF TDC 3.1746
4 5BQ5 ADP BEF 3.1746
5 5EXT ADP 4.7619
6 1EYN 2AN 4.7619
7 4LH0 GLV 5.55556
8 2ZJ5 ADP 5.55556
9 5LD8 6U5 6.34921
10 3X0V FAD 6.34921
11 2HF9 GSP 6.34921
12 5EHZ 5NZ 6.34921
13 3QSB 743 6.34921
14 1RSG FAD 7.14286
15 5M04 GDP 7.93651
16 1YRO GDU 7.93651
17 1XEX ATP 8.73016
18 5KF9 ACO 8.73016
19 3KTA AP5 8.73016
20 2Z3Y F2N 9.52381
21 5N5U 7N8 10.3175
22 1JQD SAH 10.3175
23 2AOT SAH 10.3175
24 2CJF RP4 12.6984
25 5WL1 D3D 14.1414
26 5WL1 CUY 14.1414
27 1S9D GDP 19.8413
28 2Q2Y ADP 25.3968
29 2Q2Y MKR 25.3968
Pocket No.: 4; Query (leader) PDB : 1XPJ; Ligand: TLA; Similar sites found with APoc: 14
This union binding pocket(no: 4) in the query (biounit: 1xpj.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 2WKQ GTP None
2 1W5T ADP 1.5873
3 3T64 DU3 3.1746
4 4KVX ACO 3.96825
5 4M7V NAP 5.55556
6 4URS C2E 7.14286
7 5OLZ T4E 7.93651
8 2FXU BID 8.73016
9 3CQD ATP 11.1111
10 2ZFI ADP 11.1111
11 6G28 AR6 12.6984
12 5YT0 GDP 13.4921
13 1YQT ADP 14.2857
14 1DAR GDP 23.0159
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