-->
Receptor
PDB id Resolution Class Description Source Keywords
4A8H 2.5 Å EC: 2.1.3.6 CRYSTAL STRUCTURE OF PUTRESCINE TRANSCARBAMYLASE FROM ENTEROCOCCUS FAECALIS WITH N-(PHOSPHONOACETYL)-PUTRESCINE ENTEROCOCCUS FAECALIS TRANSFERASE PAPU AGMATINE DEIMINASE ROUTE ORNITHINE ORNIARGININE DEIMINASE PHOSPHONOACETYLPUTRESCINE PALO
Ref.: NEW INSIGHT INTO THE TRANSCARBAMYLASE FAMILY: THE S OF PUTRESCINE TRANSCARBAMYLASE, A KEY CATALYST FOR FERMENTATIVE UTILIZATION OF AGMATINE PLOS ONE V. 7 31528 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:1344;
A:1345;
B:1344;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
NI A:1346;
B:1345;
Part of Protein;
Part of Protein;
none;
none;
submit data
58.693 Ni [Ni+2...
PUW A:1341;
B:1341;
Valid;
Valid;
none;
none;
submit data
210.168 C6 H15 N2 O4 P C(CCN...
SO4 A:1343;
B:1343;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
TRS A:1342;
B:1342;
Invalid;
Invalid;
none;
none;
submit data
122.143 C4 H12 N O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4A8H 2.5 Å EC: 2.1.3.6 CRYSTAL STRUCTURE OF PUTRESCINE TRANSCARBAMYLASE FROM ENTEROCOCCUS FAECALIS WITH N-(PHOSPHONOACETYL)-PUTRESCINE ENTEROCOCCUS FAECALIS TRANSFERASE PAPU AGMATINE DEIMINASE ROUTE ORNITHINE ORNIARGININE DEIMINASE PHOSPHONOACETYLPUTRESCINE PALO
Ref.: NEW INSIGHT INTO THE TRANSCARBAMYLASE FAMILY: THE S OF PUTRESCINE TRANSCARBAMYLASE, A KEY CATALYST FOR FERMENTATIVE UTILIZATION OF AGMATINE PLOS ONE V. 7 31528 2012
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4A8H - PUW C6 H15 N2 O4 P C(CCNC(=O)....
2 4A8P - PAO C7 H15 N2 O6 P C(C[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 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](....
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: PUW; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 PUW 1 1
2 EOP 0.558824 0.875
3 PAO 0.511111 0.92
4 PA9 0.44 0.865385
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4A8H; Ligand: PUW; Similar sites found with APoc: 42
This union binding pocket(no: 1) in the query (biounit: 4a8h.bio1) has 40 residues
No: Leader PDB Ligand Sequence Similarity
1 4CQK PIO None
2 3IT7 TLA 1.64835
3 3VM7 GLC 1.97183
4 3VOT ADP 2.25352
5 3T31 FAD 2.25352
6 5ZXD ATP 2.25352
7 1OXV ANP 2.26629
8 2RNF UM3 2.5
9 1B4U DHB 2.8777
10 2PFY PCA 2.99003
11 2QQ0 ANP 3.80435
12 2QQ0 TMP 3.80435
13 2QQ0 ADP 3.80435
14 5DZT AMP 3.94366
15 3KYF 5GP 5GP 4.329
16 5B0I BOG 4.37318
17 4ZW3 4S9 4.50704
18 5LV1 78T 4.64286
19 5XQL C2E 4.811
20 6D3U 83Y BDP 83Y GCD 5.28053
21 5TO8 7FM 5.31915
22 2NTK IMP 6.30631
23 6C90 ADP 6.76056
24 1T0S BML 8.13953
25 2ZPT A3P 8.81356
26 4PZ6 GMP 9.52381
27 2AJH MET 9.69388
28 2ISJ FMN 10.4348
29 5GZZ GSH 10.5505
30 4ZUL UN1 11.5493
31 3AJ4 SEP 11.6071
32 1F1V DHY 12.3839
33 3T7V MD0 15.7746
34 6HL7 CP 39.6552
35 3L02 SN0 41.4085
36 3L02 CP 41.4085
37 3R7F CP 42.4342
38 1EKX PAL 43.4084
39 4BJH PAL 43.4783
40 1D09 PAL 43.5484
41 5G1N PAL 44.9045
42 1ML4 PAL 47.4026
Pocket No.: 2; Query (leader) PDB : 4A8H; Ligand: PUW; 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: 4a8h.bio1) has 40 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4A8H; Ligand: PUW; 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: 4a8h.bio1) has 40 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4A8H; Ligand: PUW; Similar sites found with APoc: 6
This union binding pocket(no: 4) in the query (biounit: 4a8h.bio2) has 40 residues
No: Leader PDB Ligand Sequence Similarity
1 5HP8 PYR 2.41935
2 6AMI TRP 3.09859
3 3SHZ 5CO 3.45821
4 1P0Z FLC 5.07042
5 3WIR BGC 10.4225
6 2QGI UDP 14.1129
Pocket No.: 5; Query (leader) PDB : 4A8H; Ligand: PUW; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 4a8h.bio2) has 40 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 4A8H; Ligand: PUW; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 4a8h.bio2) has 40 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback