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Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PAO A:355;
Valid;
none;
submit data
254.178 C7 H15 N2 O6 P C(C[C...
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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
Ligand no: 1; Ligand: PAO; Similar ligands found: 13
No: Ligand ECFP6 Tc MDL keys Tc
1 PAO 1 1
2 CIR 0.571429 0.615385
3 PA9 0.56 0.942308
4 RPI 0.54 0.8
5 PUW 0.511111 0.92
6 2JJ 0.488372 0.74
7 5OY 0.488372 0.74
8 EOP 0.475 0.843137
9 PSQ 0.471698 0.714286
10 2YH 0.470588 0.627451
11 2YJ 0.45283 0.634615
12 NRG 0.45283 0.634921
13 AS1 0.428571 0.648148
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: 86
This union binding pocket(no: 1) in the query (biounit: 1oth.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 6FU4 HSM 1.24611
2 5ZXD ATP 1.55763
3 1GQ2 OXL 1.86916
4 2VVG ADP 1.86916
5 3QDK QDK 2.18069
6 2F2H XTG 2.18069
7 4CIB 7UZ 2.18069
8 5LTJ ADP 2.18069
9 3LRE ADP 2.49221
10 5AYE BMA BMA 2.49221
11 5YV5 ADP 2.49221
12 1YQT ADP 2.49221
13 3NHB ADP 2.61438
14 3E4O SIN 2.62295
15 5B0I BOG 2.62391
16 3AJ4 SEP 2.67857
17 3ITJ CIT 2.80374
18 5AHO TLA 2.80374
19 1XP8 AGS 2.80374
20 4D1J DGJ 2.80374
21 4WZ6 ATP 3.10345
22 1XMV ADP 3.11526
23 4UDK BMA 3.11526
24 5AK0 8V1 3.11526
25 2OG2 MLI 3.11526
26 5BSZ THM 3.2
27 4UXH T5A 3.26087
28 4U00 ADP 3.27869
29 3B1J NAD 3.42679
30 4GYS MLI 3.42679
31 1G6H ADP 3.50195
32 4MLN ODV 3.57143
33 1OXV ANP 3.73832
34 2QQ0 ANP 3.80435
35 2QQ0 ADP 3.80435
36 2QQ0 TMP 3.80435
37 2QQ0 THM 3.80435
38 2PZE ATP 3.93013
39 3EWA ANP 4.03727
40 1K7W AS1 4.04984
41 4B1L FRU 4.24242
42 5SXS NIZ 4.36137
43 4AG5 ADP 4.6729
44 4QM7 GTP 4.67836
45 2AWN ADP 4.72441
46 4DDY DN6 4.94297
47 5F7U GLC GLC 4.98442
48 5LV1 78T 5
49 5GZZ GSH 5.04587
50 1WHT BZS 5.07812
51 1W4R TTP 5.12821
52 3DUV KDO 5.34351
53 1JI0 ATP 5.41667
54 5O2J 2PO 5.86081
55 4RP9 ASC 5.919
56 3OBT SLB 5.919
57 1P0Z FLC 6.10687
58 3SZB I1E 6.23053
59 2OFW ADX 6.25
60 4PPF FLC 6.54206
61 5U75 SIA GAL NDG FUC 6.54762
62 2WHX ADP 6.85358
63 3A4M ADP 6.92308
64 2D24 XYS XYS 7.16511
65 1RRC ADP 7.30897
66 2VOH CIT 7.64331
67 6C90 ADP 7.69231
68 4YMU ATP 8.33333
69 1NP0 NGT 8.62069
70 3B5J 12D 8.64198
71 3BY9 SIN 8.84615
72 4WBD ADP 9.34579
73 1B0U ATP 11.0687
74 3FWN 6PG 12.1495
75 4USI AKG 12.3377
76 2AJH MET 15.3061
77 1JJ7 ADP 16.1538
78 1GG6 APL 22.9008
79 1EKX PAL 29.582
80 1D09 PAL 29.6774
81 3L02 SN0 41.7445
82 3L02 CP 41.7445
83 4BJH PAL 42.236
84 3R7F CP 44.4079
85 6HL7 CP 45.4829
86 5G1N PAL 45.8599
87 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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