Receptor
PDB id Resolution Class Description Source Keywords
1LAF 2.06 Å NON-ENZYME: TRANSPORT STRUCTURAL BASES FOR MULTIPLE LIGAND SPECIFICITY OF THE PERI LYSINE-, ARGININE-, ORNITHINE-BINDING PROTEIN SALMONELLA TYPHIMURIUM AMINO ACID TRANSPORT
Ref.: STRUCTURAL BASIS FOR MULTIPLE LIGAND SPECIFICITY OF PERIPLASMIC LYSINE-, ARGININE-, ORNITHINE-BINDING P J.BIOL.CHEM. V. 269 26323 1994
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ARG E:240;
Valid;
none;
Kd = 14 nM
175.209 C6 H15 N4 O2 C(C[C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1LAF 2.06 Å NON-ENZYME: TRANSPORT STRUCTURAL BASES FOR MULTIPLE LIGAND SPECIFICITY OF THE PERI LYSINE-, ARGININE-, ORNITHINE-BINDING PROTEIN SALMONELLA TYPHIMURIUM AMINO ACID TRANSPORT
Ref.: STRUCTURAL BASIS FOR MULTIPLE LIGAND SPECIFICITY OF PERIPLASMIC LYSINE-, ARGININE-, ORNITHINE-BINDING P J.BIOL.CHEM. V. 269 26323 1994
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 1LAG Kd = 500 nM HIS C6 H10 N3 O2 c1c([nH+]c....
2 1LST - LYS C6 H15 N2 O2 C(CC[NH3+]....
3 1LAF Kd = 14 nM ARG C6 H15 N4 O2 C(C[C@@H](....
4 5OWF Kd = 1.59 uM GLN C5 H10 N2 O3 C(CC(=O)N)....
5 1LAH Kd = 30 nM ORN C5 H12 N2 O2 C(C[C@@H](....
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 175 families.
1 1LAG Kd = 500 nM HIS C6 H10 N3 O2 c1c([nH+]c....
2 1LST - LYS C6 H15 N2 O2 C(CC[NH3+]....
3 1LAF Kd = 14 nM ARG C6 H15 N4 O2 C(C[C@@H](....
4 5OWF Kd = 1.59 uM GLN C5 H10 N2 O3 C(CC(=O)N)....
5 1LAH Kd = 30 nM ORN C5 H12 N2 O2 C(C[C@@H](....
6 1HSL Kd = 0.064 uM HIS C6 H10 N3 O2 c1c([nH+]c....
7 1HPB Kd = 0.03 uM HIS C6 H10 N3 O2 c1c([nH+]c....
50% Homology Family (28)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 149 families.
1 1WDN Kd = 0.5 uM GLN C5 H10 N2 O3 C(CC(=O)N)....
2 4POW Kd = 0.57 uM OP1 C11 H18 N4 O5 [H]/N=C(N)....
3 5ITO Kd = 68.9 uM 6DB C9 H18 N4 O4 [H]/N=C(/N....
4 5ITP Kd = 6.1 uM 6DB C9 H18 N4 O4 [H]/N=C(/N....
5 4POX Kd = 3.7 uM 2W2 C11 H20 N4 O6 [H]/N=C(/N....
6 5OTA Kd = 4.4 uM AQQ C8 H16 N2 O4 C[C@H](C(=....
7 4PP0 - OP1 C11 H18 N4 O5 [H]/N=C(N)....
8 2Y7I - ARG C6 H15 N4 O2 C(C[C@@H](....
9 4G4P Kd = 0.13 uM GLN C5 H10 N2 O3 C(CC(=O)N)....
10 2PVU Kd = 0.49 uM LYS C6 H15 N2 O2 C(CC[NH3+]....
11 2Q2C Kd = 0.42 uM HIS C6 H10 N3 O2 c1c([nH+]c....
12 4YMX Kd = 79 nM ARG C6 H15 N4 O2 C(C[C@@H](....
13 1LST - LYS C6 H15 N2 O2 C(CC[NH3+]....
14 1LAF Kd = 14 nM ARG C6 H15 N4 O2 C(C[C@@H](....
15 5OWF Kd = 1.59 uM GLN C5 H10 N2 O3 C(CC(=O)N)....
16 1LAH Kd = 30 nM ORN C5 H12 N2 O2 C(C[C@@H](....
17 2PYY Kd = 0.2 uM GLU C5 H9 N O4 C(CC(=O)O)....
18 1HSL Kd = 0.064 uM HIS C6 H10 N3 O2 c1c([nH+]c....
19 1HPB Kd = 0.03 uM HIS C6 H10 N3 O2 c1c([nH+]c....
20 3VV5 - SLZ C5 H12 N2 O2 S C(CSC[C@@H....
21 3VVE - LYS C6 H15 N2 O2 C(CC[NH3+]....
22 3VVF - ARG C6 H15 N4 O2 C(C[C@@H](....
23 3VVD - ORN C5 H12 N2 O2 C(C[C@@H](....
24 5L9O Kd = 4 uM GOP C11 H22 N2 O8 C(CC(=O)N)....
25 4ZV1 Kd = 5.7 uM ARG C6 H15 N4 O2 C(C[C@@H](....
26 4ZV2 Kd = 1.2 mM GLN C5 H10 N2 O3 C(CC(=O)N)....
27 5ORG Kd = 9 nM 6DB C9 H18 N4 O4 [H]/N=C(/N....
28 4KQP Kd = 1.49 uM GLN C5 H10 N2 O3 C(CC(=O)N)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ARG; Similar ligands found: 42
No: Ligand ECFP6 Tc MDL keys Tc
1 ARG 1 1
2 DAR 1 1
3 CIR 0.735294 0.763158
4 AAR 0.705882 0.783784
5 ILO 0.615385 0.783784
6 3AR 0.595238 0.891892
7 4JK 0.585366 0.789474
8 NMM 0.585366 0.888889
9 VUR 0.585366 0.810811
10 HAR 0.585366 0.780488
11 VIO 0.581395 0.769231
12 WT2 0.571429 0.805556
13 DA2 0.55814 0.744186
14 2MR 0.545455 0.864865
15 2YH 0.545455 0.65
16 3KJ 0.545455 0.680851
17 1KJ 0.533333 0.744186
18 JM2 0.533333 0.731707
19 NRG 0.521739 0.622642
20 RPI 0.521739 0.64
21 2YJ 0.521739 0.619048
22 API 0.515152 0.611111
23 LN6 0.510638 0.725
24 HRG 0.5 0.941176
25 JM7 0.5 0.731707
26 2KJ 0.489796 0.727273
27 D20 0.489796 0.744186
28 AS1 0.489796 0.8
29 ORN 0.472222 0.757576
30 JM8 0.470588 0.714286
31 JM6 0.470588 0.697674
32 JM4 0.470588 0.697674
33 LYS ARG LYS ARG LYS ARG LYS ARG 0.463415 0.848485
34 MLZ 0.463415 0.65
35 JM5 0.461538 0.714286
36 DLY 0.447368 0.735294
37 DAB 0.441176 0.685714
38 LYS 0.435897 0.764706
39 0TF 0.428571 0.619048
40 2YG 0.42 0.619048
41 PG3 0.416667 0.756757
42 6CL 0.414634 0.638889
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1LAF; Ligand: ARG; 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: 1laf.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
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