Receptor
PDB id Resolution Class Description Source Keywords
1EP9 2.4 Å EC: 2.1.3.3 HUMAN ORNITHINE TRANSCARBAMYLASE: CRYSTALLOGRAPHIC INSIGHTS SUBSTRATE RECOGNITION AND CONFORMATIONAL CHANGE HOMO SAPIENS PROTEIN-SUBSTRATE COMPLEX TRANSFERASE
Ref.: HUMAN ORNITHINE TRANSCARBAMYLASE: CRYSTALLOGRAPHIC INTO SUBSTRATE RECOGNITION AND CONFORMATIONAL CHANG BIOCHEM.J. V. 354 501 2001
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CP A:355;
Valid;
none;
submit data
141.02 C H4 N O5 P C(=O)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1OTH 1.85 Å EC: 2.1.3.3 CRYSTAL STRUCTURE OF HUMAN ORNITHINE TRANSCARBAMOYLASE COMPL N-PHOSPHONACETYL-L-ORNITHINE HOMO SAPIENS TRANSCARBAMOYLASE TRANSFERASE
Ref.: 1.85-A RESOLUTION CRYSTAL STRUCTURE OF HUMAN ORNITH TRANSCARBAMOYLASE COMPLEXED WITH N-PHOSPHONACETYL-L-ORNITHINE. CATALYTIC MECHANISM A CORRELATION WITH INHERITED DEFICIENCY. J.BIOL.CHEM. V. 273 34247 1998
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1OTH - PAO C7 H15 N2 O6 P C(C[C@@H](....
2 1EP9 - CP C H4 N O5 P C(=O)(N)OP....
3 1C9Y - NVA C5 H11 N O2 CCC[C@@H](....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1OTH - PAO C7 H15 N2 O6 P C(C[C@@H](....
2 1EP9 - CP C H4 N O5 P C(=O)(N)OP....
3 1C9Y - NVA C5 H11 N O2 CCC[C@@H](....
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4A8H - PUW C6 H15 N2 O4 P C(CCNC(=O)....
2 4A8P - PAO C7 H15 N2 O6 P C(C[C@@H](....
3 4A8T - PAO C7 H15 N2 O6 P C(C[C@@H](....
4 2I6U - NVA C5 H11 N O2 CCC[C@@H](....
5 1DUV Kd = 1.6 pM PSQ C5 H15 N4 O6 P S C(C[C@@H](....
6 1OTH - PAO C7 H15 N2 O6 P C(C[C@@H](....
7 1EP9 - CP C H4 N O5 P C(=O)(N)OP....
8 1C9Y - NVA C5 H11 N O2 CCC[C@@H](....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: CP; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 CP 1 1
2 UVW 0.52381 0.638889
3 PCT 0.409091 0.731707
Similar Ligands (3D)
Ligand no: 1; Ligand: CP; Similar ligands found: 541
No: Ligand Similarity coefficient
1 PAE 1.0000
2 TB6 1.0000
3 S0H 1.0000
4 7VD 0.9980
5 MPD 0.9974
6 SAT 0.9962
7 FCN 0.9820
8 LLQ 0.9746
9 XPO 0.9661
10 CHT 0.9656
11 3HR 0.9637
12 GG6 0.9610
13 TAU 0.9609
14 MAE 0.9594
15 IVA 0.9591
16 8X3 0.9591
17 2HE 0.9588
18 MLI 0.9585
19 EFS 0.9581
20 POA 0.9581
21 OPE 0.9577
22 POP 0.9573
23 MLA 0.9572
24 PPV 0.9549
25 FJO 0.9544
26 O7U 0.9541
27 1DQ 0.9540
28 COM 0.9536
29 3HL 0.9535
30 VX 0.9531
31 PGA 0.9528
32 P7I 0.9518
33 DMG 0.9498
34 BAE 0.9488
35 C5J 0.9471
36 HX2 0.9464
37 PAH 0.9463
38 BTL 0.9461
39 ETM 0.9455
40 ODV 0.9452
41 ASN 0.9452
42 FLA 0.9442
43 3PY 0.9421
44 AAE 0.9411
45 X1S 0.9400
46 PIS 0.9400
47 MLM 0.9398
48 PRO 0.9393
49 2PN 0.9392
50 IHG 0.9385
51 P2D 0.9384
52 PPF 0.9379
53 A20 0.9367
54 3PP 0.9355
55 SSN 0.9350
56 ALO 0.9340
57 KIV 0.9328
58 THE 0.9323
59 SIN 0.9322
60 THR 0.9317
61 H95 0.9314
62 9SB 0.9306
63 NMG 0.9301
64 DPR 0.9295
65 2PC 0.9295
66 TFB 0.9290
67 HYP 0.9279
68 CIZ 0.9278
69 9X6 0.9277
70 PAF 0.9272
71 IPU 0.9272
72 VAL 0.9268
73 IQ0 0.9258
74 DMV 0.9257
75 LER 0.9252
76 MRY 0.9252
77 HPY 0.9250
78 CRN 0.9247
79 OAA 0.9246
80 T2C 0.9235
81 HDA 0.9225
82 DTL 0.9223
83 273 0.9222
84 LEU 0.9222
85 4JU 0.9211
86 2MH 0.9211
87 DUC 0.9210
88 PRS 0.9205
89 JBN 0.9203
90 JYD 0.9201
91 ASP 0.9198
92 MLT 0.9198
93 FOA 0.9192
94 TFS 0.9190
95 G3P 0.9178
96 G3H 0.9178
97 FUM 0.9169
98 DGY 0.9169
99 03W 0.9169
100 PYC 0.9166
101 MDN 0.9164
102 23B 0.9163
103 QFH 0.9160
104 AC5 0.9159
105 JAB 0.9159
106 AKB 0.9158
107 LMR 0.9157
108 HIU 0.9157
109 UY7 0.9153
110 2RH 0.9152
111 SER 0.9147
112 HIO 0.9147
113 ZBT 0.9147
114 TZL 0.9147
115 KG7 0.9145
116 FW5 0.9144
117 1AC 0.9144
118 98J 0.9142
119 HZP 0.9142
120 23W 0.9141
121 CMS 0.9140
122 CEJ 0.9138
123 SMV 0.9137
124 TAY 0.9137
125 H3M 0.9135
126 RSF 0.9135
127 XBT 0.9135
128 34V 0.9134
129 TEO 0.9129
130 QDK 0.9128
131 YHO 0.9126
132 4MV 0.9121
133 COI 0.9120
134 MZ0 0.9120
135 285 0.9119
136 DSN 0.9116
137 5AC 0.9112
138 2KT 0.9111
139 ABU 0.9110
140 UYA 0.9106
141 DAS 0.9100
142 ILE 0.9098
143 NXA 0.9098
144 HSE 0.9098
145 9YL 0.9095
146 NCM 0.9094
147 1DU 0.9092
148 2RA 0.9092
149 TZC 0.9091
150 SRT 0.9088
151 PCA 0.9088
152 ITN 0.9087
153 24T 0.9083
154 1DV 0.9083
155 C2N 0.9082
156 BVG 0.9081
157 URA 0.9080
158 SS2 0.9077
159 G2H 0.9076
160 HYN 0.9075
161 25T 0.9071
162 LEA 0.9064
163 DCL 0.9064
164 MAK 0.9062
165 RBL 0.9061
166 3SL 0.9060
167 HV2 0.9060
168 1SP 0.9058
169 A3B 0.9053
170 OHG 0.9052
171 6PC 0.9051
172 1Y8 0.9050
173 E60 0.9049
174 TP5 0.9047
175 CYS 0.9044
176 1GP 0.9043
177 C21 0.9042
178 DBB 0.9042
179 DXX 0.9040
180 XLS 0.9038
181 265 0.9035
182 TLA 0.9031
183 DCY 0.9031
184 XIX 0.9031
185 192 0.9031
186 9X7 0.9030
187 3CH 0.9028
188 SMB 0.9028
189 PEP 0.9026
190 2EZ 0.9023
191 RCO 0.9023
192 NVI 0.9022
193 SYN 0.9022
194 GLY ALA 0.9021
195 40E 0.9020
196 2IM 0.9018
197 AHR 0.9016
198 VAH 0.9015
199 PPR 0.9015
200 JZ5 0.9011
201 OXL 0.9011
202 GZ3 0.9008
203 13P 0.9008
204 LG3 0.9007
205 GAG 0.9007
206 FMS 0.9007
207 M6W 0.9006
208 ICF 0.9004
209 PZA 0.9004
210 KPL 0.9004
211 BU4 0.9002
212 284 0.8999
213 XUL 0.8995
214 DE2 0.8994
215 PY7 0.8992
216 PEQ 0.8991
217 J1Z 0.8989
218 QSC 0.8989
219 CRS 0.8986
220 PBE 0.8984
221 PMB 0.8980
222 ROR 0.8980
223 FSG 0.8979
224 69O 0.8978
225 FBJ 0.8978
226 HUI 0.8978
227 YCP 0.8977
228 OXQ 0.8976
229 GOL 0.8976
230 LDU 0.8974
231 BUQ 0.8972
232 BVC 0.8972
233 60P 0.8970
234 SPV 0.8967
235 282 0.8966
236 AMC 0.8965
237 SPA 0.8964
238 GBD 0.8962
239 SGL 0.8962
240 XYL 0.8960
241 LG5 0.8959
242 ETF 0.8959
243 BUA 0.8957
244 BVF 0.8957
245 FB2 0.8956
246 3OH 0.8954
247 TAR 0.8953
248 BP9 0.8952
249 8GF 0.8952
250 TMH 0.8952
251 AC0 0.8951
252 BAL 0.8949
253 39J 0.8948
254 6HQ 0.8947
255 1SH 0.8946
256 IPH 0.8946
257 BNS 0.8946
258 IZC 0.8946
259 1SA 0.8945
260 URQ 0.8945
261 NVA 0.8944
262 PUT 0.8943
263 DTU 0.8943
264 CYT 0.8941
265 AOA 0.8940
266 A2Q 0.8939
267 DAB 0.8938
268 FPY 0.8937
269 26D 0.8937
270 MZW 0.8936
271 280 0.8934
272 MRZ 0.8934
273 MSF 0.8933
274 3V4 0.8932
275 M58 0.8928
276 HYA 0.8925
277 HVQ 0.8925
278 HAI 0.8924
279 PYJ 0.8923
280 SAR 0.8922
281 PRI 0.8921
282 HGQ 0.8921
283 APY 0.8920
284 HSW 0.8919
285 0V5 0.8917
286 1CO 0.8916
287 HSM 0.8915
288 ACH 0.8913
289 ICN 0.8913
290 54D 0.8912
291 RUU 0.8912
292 CXL 0.8909
293 VSO 0.8907
294 CNH 0.8907
295 R1X 0.8903
296 IOM 0.8899
297 PYF 0.8897
298 OXD 0.8895
299 9PO 0.8893
300 1DH 0.8892
301 MTG 0.8892
302 CYH 0.8891
303 IMR 0.8889
304 L60 0.8888
305 IDH 0.8887
306 OXZ 0.8887
307 NIO 0.8885
308 FQI 0.8885
309 TNE 0.8884
310 MBN 0.8882
311 HCS 0.8876
312 PLQ 0.8875
313 BAM 0.8873
314 GP9 0.8871
315 SS1 0.8871
316 TAN 0.8870
317 HBX 0.8869
318 HRZ 0.8868
319 HVK 0.8867
320 4AP 0.8863
321 2AP 0.8862
322 AHB 0.8861
323 ABA 0.8858
324 3U4 0.8858
325 2AS 0.8857
326 3AP 0.8857
327 EDG 0.8856
328 7EX 0.8855
329 SAL 0.8852
330 BE2 0.8852
331 3SK 0.8851
332 EGD 0.8850
333 BEZ 0.8847
334 WOT 0.8847
335 1AB 0.8842
336 V1L 0.8841
337 278 0.8841
338 ECE 0.8841
339 ABN 0.8839
340 DSS 0.8838
341 MEV 0.8837
342 CIG 0.8837
343 NBZ 0.8837
344 RIP 0.8836
345 BMD 0.8835
346 NCA 0.8835
347 JZ7 0.8831
348 LGA 0.8829
349 FEH 0.8828
350 FPN 0.8828
351 2DR 0.8828
352 PTO 0.8827
353 0MK 0.8827
354 GXE 0.8827
355 BEN 0.8826
356 M3T 0.8826
357 ORN 0.8826
358 1DJ 0.8825
359 IT2 0.8820
360 SVJ 0.8820
361 9CL 0.8820
362 AUD 0.8820
363 GLU 0.8819
364 DEN 0.8818
365 93B 0.8817
366 HQE 0.8815
367 HEW 0.8815
368 FPI 0.8814
369 R8A 0.8813
370 GUA 0.8812
371 1MR 0.8811
372 B24 0.8811
373 IDM 0.8808
374 URP 0.8803
375 4H2 0.8802
376 8K2 0.8802
377 JKE 0.8800
378 PBC 0.8798
379 FUL 0.8795
380 SLP 0.8795
381 CSS 0.8794
382 HHQ 0.8793
383 B3R 0.8792
384 ABE 0.8791
385 R67 0.8791
386 CAQ 0.8787
387 JZ9 0.8786
388 HY3 0.8786
389 VGL 0.8785
390 URF 0.8782
391 SYG 0.8781
392 JZ3 0.8781
393 TH0 0.8781
394 ARB 0.8779
395 PYR 0.8779
396 ARA 0.8778
397 GVH 0.8775
398 BZI 0.8774
399 4HO 0.8773
400 51F 0.8770
401 IND 0.8768
402 2CO 0.8768
403 TMZ 0.8768
404 0CT 0.8767
405 BZF 0.8767
406 BUB 0.8767
407 PCR 0.8766
408 DA1 0.8766
409 LNO 0.8766
410 0R1 0.8765
411 JZ1 0.8765
412 MPI 0.8764
413 RNS 0.8762
414 40O 0.8762
415 LAC 0.8761
416 FUC 0.8761
417 H76 0.8761
418 6M4 0.8759
419 4JP 0.8757
420 WBU 0.8756
421 LZ1 0.8754
422 TB0 0.8750
423 ICC 0.8750
424 SKG 0.8747
425 3ZQ 0.8746
426 DFU 0.8745
427 SEJ 0.8745
428 NTN 0.8744
429 LG4 0.8743
430 FUF 0.8741
431 MXN 0.8741
432 25R 0.8738
433 IP0 0.8738
434 TMT 0.8736
435 14J 0.8735
436 PXY 0.8734
437 4ZE 0.8734
438 8CL 0.8734
439 OXE 0.8734
440 RHU 0.8733
441 C2A 0.8732
442 MB3 0.8731
443 0OC 0.8728
444 XRG 0.8728
445 3GR 0.8726
446 ITU 0.8724
447 6SP 0.8723
448 1XX 0.8723
449 4CH 0.8722
450 MNN 0.8721
451 XYS 0.8721
452 MCT 0.8721
453 BXO 0.8720
454 XYP 0.8720
455 IFM 0.8719
456 92Z 0.8716
457 64K 0.8713
458 TDR 0.8713
459 NBE 0.8713
460 AKG 0.8713
461 XAP 0.8711
462 SNE 0.8710
463 3BB 0.8708
464 MWM 0.8708
465 CNL 0.8707
466 HGY 0.8703
467 DAL 0.8703
468 2OP 0.8702
469 BML 0.8701
470 HBR 0.8700
471 XBZ 0.8700
472 5UC 0.8700
473 DS0 0.8697
474 1AN 0.8696
475 FP2 0.8694
476 7WG 0.8694
477 8LG 0.8693
478 2PG 0.8693
479 L89 0.8692
480 2YU 0.8689
481 A09 0.8687
482 HLT 0.8685
483 DPF 0.8684
484 4HS 0.8683
485 RSO 0.8678
486 MMQ 0.8677
487 ALA 0.8675
488 FAC 0.8673
489 OXM 0.8671
490 HY1 0.8669
491 NAK 0.8669
492 UNU 0.8668
493 MUC 0.8667
494 1MC 0.8666
495 ATQ 0.8665
496 UGC 0.8662
497 HBS 0.8661
498 BAQ 0.8659
499 PE9 0.8658
500 1CB 0.8657
501 1PT 0.8656
502 HSL 0.8656
503 93Q 0.8655
504 76X 0.8655
505 AZF 0.8655
506 MMZ 0.8654
507 3MT 0.8652
508 BEW 0.8649
509 TTO 0.8643
510 MET 0.8642
511 ALQ 0.8642
512 MEU 0.8639
513 MZY 0.8638
514 GBL 0.8637
515 8FH 0.8635
516 4XX 0.8631
517 I2M 0.8630
518 HHN 0.8628
519 KSW 0.8625
520 ISU 0.8624
521 OK7 0.8622
522 271 0.8621
523 4SD 0.8619
524 MTD 0.8618
525 TZE 0.8614
526 HBA 0.8607
527 I1E 0.8599
528 4MZ 0.8574
529 2MZ 0.8574
530 BZX 0.8573
531 GLY GLY 0.8572
532 PIH 0.8559
533 51R 0.8555
534 3ZS 0.8554
535 PKU 0.8554
536 GLL 0.8553
537 FBV 0.8551
538 PYM 0.8550
539 4VP 0.8548
540 FB1 0.8531
541 MED 0.8522
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1OTH; Ligand: PAO; 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: 1oth.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 1ML4 PAL 50
Pocket No.: 2; Query (leader) PDB : 1OTH; Ligand: PAO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1oth.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1OTH; Ligand: PAO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1oth.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
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