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Receptor
PDB id Resolution Class Description Source Keywords
2Z9I 2 Å EC: 3.4.21.- CRYSTAL STRUCTURE OF RV0983 FROM MYCOBACTERIUM TUBERCULOSIS- PROTEOLYTICALLY ACTIVE FORM MYCOBACTERIUM TUBERCULOSIS SERINE PROTEASE HTRA HYDROLASE
Ref.: STRUCTURE AND FUNCTION OF THE VIRULENCE-ASSOCIATED HIGH-TEMPERATURE REQUIREMENT A OF MYCOBACTERIUM TUBERCULOSIS BIOCHEMISTRY V. 47 6092 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLY ALA THR VAL G:1;
H:3;
I:2;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
117.128 n/a O=C(N...
SER VAL GLU GLN VAL D:408;
E:408;
F:407;
Invalid;
Invalid;
Invalid;
none;
none;
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
2Z9I 2 Å EC: 3.4.21.- CRYSTAL STRUCTURE OF RV0983 FROM MYCOBACTERIUM TUBERCULOSIS- PROTEOLYTICALLY ACTIVE FORM MYCOBACTERIUM TUBERCULOSIS SERINE PROTEASE HTRA HYDROLASE
Ref.: STRUCTURE AND FUNCTION OF THE VIRULENCE-ASSOCIATED HIGH-TEMPERATURE REQUIREMENT A OF MYCOBACTERIUM TUBERCULOSIS BIOCHEMISTRY V. 47 6092 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 2Z9I - GLY ALA THR VAL n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 12 families.
1 2Z9I - GLY ALA THR VAL n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 2Z9I - GLY ALA THR VAL n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLY ALA THR VAL; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 GLY ALA THR VAL 1 1
2 GLY GLY GLY 0.645161 0.965517
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2Z9I; Ligand: GLY ALA THR VAL; Similar sites found with APoc: 475
This union binding pocket(no: 1) in the query (biounit: 2z9i.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 2XQQ SAC ARG GLY THR GLN THR GLU None
2 5NNT DPV None
3 3GN8 DEX None
4 3S0E EOL None
5 4LHW GNP None
6 1NQ7 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU None
7 2FKW RG1 None
8 3WR7 COA None
9 6CS9 PIO None
10 4RJD TFP None
11 2GJ3 FAD None
12 3D78 NBB 0.617284
13 5K52 OCD 0.754717
14 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 0.869565
15 4E2J MOF 1.2
16 4V3C C 1.23457
17 5D6J ATP 1.23457
18 4RC8 STE 1.35135
19 2UXI G50 1.42857
20 3MBG FAD 1.43885
21 2XNJ NAP 1.50376
22 5U6C 7YS 1.54321
23 5GUE GGS 1.54321
24 3ZCN ATP 1.54321
25 1CM8 ANP 1.54321
26 2X5W K2B 1.54321
27 3BJC WAN 1.54321
28 4CJX 9L9 1.54321
29 2RH1 CAU 1.54321
30 4P6X HCY 1.56863
31 4CNG SAH 1.56863
32 4PVR ASP 1.6129
33 2JAH NDP 1.61943
34 2D37 FMN 1.70455
35 2D37 NAD 1.70455
36 1Z2A GDP 1.78571
37 6EDK 1YA 1.84332
38 5ECP ATP 1.85185
39 5ECP MET 1.85185
40 2CWH NDP 1.85185
41 2CWH PYC 1.85185
42 6FDF SAH 1.85185
43 2ART LPA AMP 1.85185
44 1LOX RS7 1.85185
45 5XLS URA 1.85185
46 1YNH SUO 1.85185
47 3MPI GRA 1.85185
48 1BUC CAA 1.85185
49 5GS9 ARG 1.85185
50 6GBX S77 1.85185
51 3PB9 1BN 1.85185
52 5UIU 8CG 1.85759
53 4FF8 14S 1.85759
54 5CSD ACD 1.88679
55 1SR7 MOF 1.9305
56 4OAR 2S0 1.93798
57 2I6U NVA 1.9544
58 1U1W 3HA 2.01342
59 4JE7 BB2 2.03046
60 1NB9 ADP 2.04082
61 1NB9 RBF 2.04082
62 4ITH RCM 2.04082
63 4XV1 904 2.05479
64 1B8O IMH 2.11268
65 1R6T TYM 2.16049
66 4DHY S41 2.16049
67 1I2B NAD 2.16049
68 1I2B USQ 2.16049
69 1I2B UPG 2.16049
70 3LXK MI1 2.16049
71 2HBL AMP 2.16049
72 2C9E PID 2.16049
73 4V24 GYR 2.16049
74 1EWF PC1 2.19298
75 4RF2 NAP 2.20588
76 2PS1 PRP 2.21239
77 2PS1 ORO 2.21239
78 4AG8 AXI 2.21519
79 3QWI CUE 2.22222
80 2DVZ GLU 2.2293
81 1XTT U5P 2.31481
82 2APC UDM 2.33918
83 3R1V AZB 2.3622
84 5X40 ACP 2.39726
85 6ALW BMJ 2.43056
86 6ALW BNV 2.43056
87 6MPT C30 2.44755
88 2BD0 NAP 2.45902
89 5G5W R8C 2.46914
90 5Y1G AKB 2.46914
91 5Y1G NAD 2.46914
92 3HB5 NAP 2.46914
93 5DF1 58X 2.46914
94 5DF1 NAP 2.46914
95 4E5N NAD 2.46914
96 6D6L FY4 2.46914
97 5UIJ TYD 2.46914
98 1M2Z DEX 2.46914
99 4LSJ LSJ 2.46914
100 5WIU AQD 2.46914
101 6C1S EFV 2.46914
102 3LU1 NAD 2.46914
103 1NHZ 486 2.46914
104 2QFY AKG 2.46914
105 1OYB FMN 2.46914
106 1OYB HBA 2.46914
107 4KIB SAH 2.46914
108 1VJY 460 2.46914
109 1KYZ SAH 2.46914
110 1SBR VIB 2.5
111 5IF4 6AK 2.51572
112 4LXQ TYD 2.55474
113 4LXQ FON 2.55474
114 1MGP PLM 2.55591
115 1WS1 BB2 2.5641
116 3M6P BB2 2.59067
117 5FQK 6NT 2.60223
118 4WN5 MVC 2.6087
119 1VL8 NAP 2.62172
120 2HF9 GSP 2.65487
121 3FPF MTA 2.68456
122 3FPF TNA 2.68456
123 3Q2H QHF 2.6936
124 2AMV BIN 2.73159
125 1GEG NAD 2.73438
126 2EW5 Y12 2.76243
127 1Q1Y BB2 2.77778
128 1ZGA SAH 2.77778
129 3TDC 0EU 2.77778
130 4G1V FAD 2.77778
131 1TV5 FMN 2.77778
132 5QIN J2V 2.77778
133 5DNK SAH 2.77778
134 6DQU GLY ILE ILE ASN THR LEU 2.77778
135 2XBK XBK 2.77778
136 6EL3 NAP 2.77778
137 2C42 PYR 2.77778
138 2C42 TPP 2.77778
139 1DUV PSQ 2.77778
140 3EWP APR 2.82486
141 1GAR U89 2.83019
142 1DL5 SAH 2.83912
143 4F9U PBD 2.88462
144 1UKZ AMP 2.95567
145 6AP8 BNY 2.97398
146 1Q3A NGH 3.0303
147 1XSE NDP 3.05085
148 1RZX ACE VAL LYS GLU SER LEU VAL 3.06122
149 3GGO NAI 3.08642
150 2YYE APC 3.08642
151 6AYI C3G 3.08642
152 5MDH NAD 3.08642
153 1JQI CAA 3.08642
154 3TTI KBI 3.08642
155 2ZPA ACO 3.08642
156 5OMY 9YE 3.08642
157 5V13 JH3 3.125
158 5UC1 486 3.15315
159 5N7O 69Y 3.16742
160 3P9T TCL 3.19635
161 5W7K SAH 3.20513
162 5GWT NAD 3.23741
163 1ZDU P3A 3.26531
164 4IZC 1GZ 3.27273
165 3A4T SFG 3.28467
166 2J7T 274 3.31126
167 1BWO LPC 3.33333
168 5U3B 7TD 3.34448
169 5LMK 6ZK 3.367
170 1HBK COA 3.37079
171 3V49 PK0 3.38346
172 4N70 2HX 3.39506
173 1RM0 D6P 3.39506
174 4GU5 FAD 3.39506
175 4XB2 NDP 3.39506
176 4XB2 HSE 3.39506
177 2BCG GER 3.39806
178 1P9P SAH 3.44828
179 5YGE ACO 3.44828
180 2FV5 541 3.44828
181 6AYH C3G 3.48259
182 2AX9 BHM 3.51562
183 3QBT GNP 3.57143
184 1XS1 DUT 3.62694
185 3LSJ COA PLM 3.63636
186 3LSJ PLM COA 3.63636
187 4DR9 BB2 3.64583
188 5MTE BB2 3.64964
189 4MCC 21X 3.65854
190 5O96 SAM 3.67347
191 2O3Z AI7 3.69004
192 1OUK 084 3.7037
193 2Z49 AMG 3.7037
194 6BQC LOP 3.7037
195 4MV1 ADP 3.7037
196 3TWO NDP 3.7037
197 5D2R 56W 3.7037
198 1S4M LUM 3.7037
199 4TMC FMN 3.7037
200 5U5G NAP 3.72881
201 6F6E PLM 3.79747
202 1LQY BB2 3.80435
203 4YC9 4C1 3.80435
204 4N9I PCG 3.80952
205 1DUB CAA 3.83142
206 3B6C SDN 3.84615
207 2WG9 OCA 3.84615
208 2IFW ACE PHE LYS PHE PSA LEU AAR 3.8835
209 1S17 GNR 3.88889
210 3WBF API 3.93443
211 6BYM HC3 3.94089
212 2VSS ACO 3.98551
213 4EWH T77 4
214 2VSU ACO 4
215 6FP4 E1T 4.01235
216 6FP4 FAD 4.01235
217 2Z23 LYS LYS LYS 4.01235
218 6BQ6 TER 4.01235
219 5KO1 6UY 4.01235
220 1C0I FAD 4.01235
221 1C0I BE2 4.01235
222 4YDU ADP 4.01235
223 1U3U NAD 4.01235
224 1U3U BNF 4.01235
225 5AZC PGT 4.01235
226 5NUE NAD 4.01235
227 1DNP FAD 4.01235
228 5NUF NAD 4.01235
229 2ED4 FAD 4.02685
230 3NUG NAD 4.04858
231 1VCE SAH 4.15094
232 1E6W NAD 4.23077
233 3RMK BML 4.24837
234 2FT0 ACO 4.25532
235 3ZV6 NAD 4.27046
236 3SBD GNP 4.27807
237 4Y8D 49J 4.28571
238 4Q0A GLY HIS LYS ILE LEU HIS ARG LEU LEU GLN 4.30464
239 4C2C ALA VAL PRO ALA 4.32099
240 4MIB 28M 4.32099
241 1UA7 ACI GLD GLC ACI G6D BGC 4.32099
242 2OFV 242 4.32099
243 3F3E LEU 4.32099
244 5W8Q BU4 4.32099
245 3KYG 5GP 5GP 4.32099
246 2RDE C2E 4.32099
247 5MLR GRQ 4.32099
248 5MLR NAP 4.32099
249 4Z87 GDP 4.32099
250 2JLD ALA GLY GLY ALA ALA ALA ALA ALA 4.32099
251 6FS0 E4W 4.32099
252 6AP6 TLF 4.46097
253 4POO SAM 4.5
254 3ROE THM 4.5283
255 2XCF BBQ 4.54545
256 2YJD YJD 4.58333
257 1Q3P GLU ALA GLN THR ARG LEU 4.58716
258 4WQ2 3SU 4.62428
259 4RVU NDP 4.62963
260 5K53 STE 4.62963
261 4IA6 EIC 4.62963
262 3T6E UQ9 4.62963
263 6CC0 EWM 4.64135
264 6FX2 FUC C4W NAG BMA MAN NAG GAL 4.65116
265 3LOO B4P 4.65753
266 1E7S NAP 4.6729
267 3A3B FMN 4.73684
268 3QXV MTX 4.7619
269 4GKV NAD 4.7619
270 1WPV HIS 4.7619
271 6C7R EO4 4.8
272 4EN4 ATP 4.80769
273 4EN4 GT1 4.80769
274 4EN4 GT0 4.80769
275 2HK5 1BM 4.81482
276 1I1N SAH 4.86726
277 5OVV ACE ILE GLU SER THR GLU ILE 4.87805
278 4DO1 ANN 4.87805
279 1UPF URF 4.91071
280 1ZQ9 SAM 4.91228
281 2WAT COA 4.91803
282 4WPF 3SN 4.92424
283 1XUJ BOZ 4.93274
284 4QTB 38Z 4.93827
285 3GC8 B45 4.93827
286 1NP7 FAD 4.93827
287 1X87 NAD 4.93827
288 2HFP NSI 4.96454
289 1LSS NAD 5
290 3KXC PLM 5.06329
291 4XRQ 1B0 5.19481
292 5NI5 8YB 5.20833
293 4G6I RS3 5.2381
294 1SB8 NAD 5.24691
295 1SB8 UD2 5.24691
296 4UDB CV7 5.24691
297 2WSB NAD 5.24691
298 4O6M C5P 5.24691
299 3ITJ FAD 5.24691
300 6GQM F8H 5.24691
301 2A3I C0R 5.24691
302 5L7G LYS SER LEU LEU GLN GLN LEU LEU THR GLU 5.24691
303 5HCV 60R 5.24691
304 2RGX AP5 5.33981
305 3O5N BR0 5.35714
306 1N5S ADL 5.35714
307 1U7T TDT 5.36398
308 1U7T NAD 5.36398
309 4QVB F42 5.44218
310 1N07 ADP 5.52147
311 1N07 FMN 5.52147
312 1UUO FMN 5.55556
313 1UUO ORO 5.55556
314 1PZO CBT 5.55556
315 2H7C COA 5.55556
316 1G94 DAF GLC DAF GLC GLC 5.55556
317 3WCA FPS 5.55556
318 2XKO AKG 5.61798
319 6ESN BWE 5.61798
320 4CQM NAP 5.7377
321 1E3W NAD 5.74713
322 1KZL CRM 5.76923
323 1WLJ U5P 5.82011
324 4PVV HO4 5.8642
325 4R84 CSF 5.8642
326 4PNI KQQ 5.8642
327 2OKL BB2 5.94595
328 4UXH T5A 5.97826
329 3LN0 52B 6.17284
330 5LX9 OLB 6.18893
331 2AK3 AMP 6.19469
332 5OVC ACE GLU ALA GLN THR ARG LEU 6.25
333 3A5Z KAA 6.28272
334 4BNU 9KQ 6.3197
335 2WBV SIA 6.34921
336 1AKY AP5 6.36364
337 2BME GNP 6.45161
338 1QO8 FAD 6.48148
339 4R1S NAP 6.48148
340 5T9F TYR 6.48148
341 4FC7 NAP 6.4982
342 4FC7 COA 6.4982
343 2ALG DAO 6.52174
344 4P5E N6P 6.57895
345 5G3Y ADP 6.63717
346 2WEL K88 6.66667
347 1MFG GLU TYR LEU GLY LEU ASP VAL PRO VAL 6.79012
348 4ARE FLC 6.79012
349 3G5N PB2 6.79012
350 4XDY HIO 6.79012
351 4JD3 PLM 6.79012
352 4JD3 COA 6.79012
353 3B20 NAD 6.79012
354 4I6G FAD 6.83594
355 4WZV E40 6.875
356 3K87 FAD 7.02703
357 5APG EEM 7.02703
358 1KDO C 7.04846
359 5U83 ZN8 7.07547
360 3A7R LAQ 7.09877
361 4IJP 1EH 7.09877
362 1G27 BB1 7.14286
363 5EJ2 NAD 7.14286
364 1RC0 KT5 7.17703
365 1ZVX FIN 7.36196
366 1L6O SER LEU LYS LEU MET THR THR VAL 7.36842
367 1KUK PCA LYS TRP 7.38916
368 1H9G COA MYR 7.40741
369 5MU6 MYA 7.40741
370 5MU6 KFK 7.40741
371 3H78 BE2 7.40741
372 2XVF FAD 7.40741
373 3C8Z 5CA 7.40741
374 3LA3 2FT 7.40741
375 4OGN 2U5 7.61905
376 5GUD NDP 7.64331
377 3R6K FUC GAL GLA 7.71605
378 1N1G BCP 7.71605
379 5B4B LP5 7.71605
380 1V25 ANP 7.71605
381 4DOL PLM 7.8341
382 3A4V PYR 7.88644
383 3A4V NAD 7.88644
384 2GJ5 VD3 8.02469
385 2V92 ATP 8.28025
386 5JF2 SF7 8.33333
387 3AYI HCI 8.33333
388 3AYI FAD 8.33333
389 1XDN ATP 8.33333
390 1Z0N BCD 8.33333
391 6H3O FAD 8.33333
392 2J83 BAT 8.39695
393 5E6O TRP GLU GLU LEU 8.47458
394 5Z2M GTP 8.52273
395 5L2Z 70C 8.66142
396 4I4Z 2NE 8.72727
397 1ZIN AP5 8.75576
398 2ASF CIT 8.75912
399 6ES0 BW8 8.83281
400 1ATL 0QI 8.91089
401 5KJK 6T1 8.95062
402 5KJK SAM 8.95062
403 4PFO ADP 8.95062
404 2VB6 ADP BEF 8.95062
405 1Q7B NAP 9.01639
406 4UUU SAM 9.03226
407 2JJK R15 9.1716
408 5K8B PDG 9.25926
409 2E3N 6CM 9.25926
410 1XG5 NAP 9.25926
411 4V1T ADP 9.25926
412 6CI9 NAP 9.26641
413 1XVB BHL 9.41177
414 4PGK Y69 9.42623
415 6CGN DA 9.5679
416 3TYZ PAB 9.64286
417 6EQS BV8 9.81818
418 3G5K BB2 9.83607
419 2C78 PUL 9.87654
420 2ZCQ B65 9.89761
421 2CNT COA 10
422 3SFI 3SF 10.1695
423 2WUF KEM 10.1852
424 5MJA 7O3 10.1852
425 2E2R 2OH 10.2459
426 1WN3 HXC 10.2941
427 4QBK 3NZ 10.3093
428 3RNM FAD 10.3448
429 1U7Z PMT 10.4938
430 4B5P ACO 10.5
431 3KO0 TFP 10.8911
432 3ZLM ANP 11.1111
433 3ZNN 4WL 11.1111
434 3ZNN FAD 11.1111
435 3SE5 ANP 11.1111
436 4XUB 43D 11.1111
437 5C1M OLC 11.1486
438 1Z83 AP5 11.2245
439 2Y69 CHD 11.25
440 3FB4 AP5 11.4198
441 5WA0 MSS 11.4198
442 5EYP GDP 11.7284
443 5WS9 AMP 11.7895
444 1GUX ASP LEU TYR CYS TYR GLU GLN LEU ASN 11.8421
445 4MKG AP5 11.9816
446 3WV1 WHH 13.4503
447 6BJO DUY 13.6
448 5MZY 8EZ 13.8889
449 1GSA GSH 13.9241
450 5VWK PRO ALA TRP ASP GLU THR ASN LEU 14.7541
451 5ZCO CHD 15.2542
452 5Z84 CHD 15.2542
453 2DYS TGL 15.2542
454 5W97 CHD 15.2542
455 5ZCO TGL 15.2542
456 2DYR TGL 15.2542
457 4ZH7 FUC GAL NAG GAL FUC 15.4321
458 4P6W MOF 15.7407
459 1JS8 MAN MAN BMA 16.0494
460 5N18 8HZ 16.5138
461 3MGB PAP 16.6144
462 4I42 1HA 16.8421
463 1YBQ BDH 17.284
464 5KY3 GFB 17.5
465 4EOX 0S5 17.5926
466 3VXE DPN PRO ARG 17.6471
467 5AAV GW5 19.4444
468 2BJ4 OHT 19.4444
469 4TV1 36M 19.5219
470 2QE4 JJ3 19.7581
471 3GWN FAD 21.9298
472 4MKF AP5 23.9631
473 3B9Z CO2 26.8519
474 2CDN ADP 28.8557
475 3ZCB ATP 30.6452
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