Receptor
PDB id Resolution Class Description Source Keywords
1LAF 2.06 Å NON-ENZYME: TRANSPORT STRUCTURAL BASES FOR MULTIPLE LIGAND SPECIFICITY OF THE PERIPLASMIC LYSINE-, ARGININE-, ORNITHINE-BINDING PROTEIN SALMONELLA TYPHIMURIUM AMINO ACID TRANSPORT
Ref.: STRUCTURAL BASIS FOR MULTIPLE LIGAND SPECIFICITY OF THE PERIPLASMIC LYSINE-, ARGININE-, ORNITHINE-BINDING PROTEIN. 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 PERIPLASMIC LYSINE-, ARGININE-, ORNITHINE-BINDING PROTEIN SALMONELLA TYPHIMURIUM AMINO ACID TRANSPORT
Ref.: STRUCTURAL BASIS FOR MULTIPLE LIGAND SPECIFICITY OF THE PERIPLASMIC LYSINE-, ARGININE-, ORNITHINE-BINDING PROTEIN. J.BIOL.CHEM. V. 269 26323 1994
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 199 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 1LAH Kd = 30 nM ORN C5 H12 N2 O2 C(C[C@@H](....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 166 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 1LAH Kd = 30 nM ORN C5 H12 N2 O2 C(C[C@@H](....
5 1HSL Kd = 0.064 uM HIS C6 H10 N3 O2 c1c([nH+]c....
6 1HPB Kd = 0.03 uM HIS C6 H10 N3 O2 c1c([nH+]c....
50% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 141 families.
1 2Q2C Kd = 0.42 uM HIS C6 H10 N3 O2 c1c([nH+]c....
2 4YMX Kd = 79 nM ARG C6 H15 N4 O2 C(C[C@@H](....
3 1LST - LYS C6 H15 N2 O2 C(CC[NH3+]....
4 1LAF Kd = 14 nM ARG C6 H15 N4 O2 C(C[C@@H](....
5 3VV5 - SLZ C5 H12 N2 O2 S C(CSC[C@@H....
6 3VVE - LYS C6 H15 N2 O2 C(CC[NH3+]....
7 3VVF - ARG C6 H15 N4 O2 C(C[C@@H](....
8 3VVD - ORN C5 H12 N2 O2 C(C[C@@H](....
9 4ZV2 Kd = 1.2 mM GLN C5 H10 N2 O3 C(CC(=O)N)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ARG; Similar ligands found: 39
No: Ligand ECFP6 Tc MDL keys Tc
1 DAR 1 1
2 ARG 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 HAR 0.585366 0.780488
8 VUR 0.585366 0.810811
9 4JK 0.585366 0.789474
10 VIO 0.581395 0.769231
11 WT2 0.571429 0.805556
12 DA2 0.55814 0.744186
13 3KJ 0.545455 0.680851
14 2YH 0.545455 0.65
15 1KJ 0.533333 0.744186
16 JM2 0.533333 0.731707
17 2YJ 0.521739 0.619048
18 NRG 0.521739 0.622642
19 RPI 0.521739 0.64
20 API 0.515152 0.611111
21 LN6 0.510638 0.725
22 JM7 0.5 0.731707
23 HRG 0.5 0.941176
24 D20 0.489796 0.744186
25 AS1 0.489796 0.8
26 2KJ 0.489796 0.727273
27 ORN 0.472222 0.757576
28 JM6 0.470588 0.697674
29 JM4 0.470588 0.697674
30 JM8 0.470588 0.714286
31 MLZ 0.463415 0.65
32 JM5 0.461538 0.714286
33 DLY 0.447368 0.735294
34 DAB 0.441176 0.685714
35 LYS 0.435897 0.764706
36 0TF 0.428571 0.619048
37 2YG 0.42 0.619048
38 PG3 0.416667 0.756757
39 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: 23
This union binding pocket(no: 1) in the query (biounit: 1laf.bio1) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4G86 BNT 0.03927 0.40261 2.52101
2 2WGV CIT 0.03031 0.40095 3.78151
3 5AHO TLA 0.009899 0.43254 4.20168
4 2QB8 ATP 0.04585 0.40325 4.62185
5 3TDC 0EU 0.0006795 0.48268 5.04202
6 3GCM 5GP 0.01198 0.41118 5.04202
7 4YKI GLY 0.01025 0.42441 6.30252
8 5CKS GAL 0.01514 0.41653 6.30252
9 5O4F 8VE 0.01303 0.4021 10.9244
10 1II5 GLU 0.00002261 0.5662 12.0172
11 2GCG DGY 0.01759 0.41593 14.2857
12 5WSY 7UC 0.01798 0.40699 21.9653
13 4WXJ GLU 0.0004472 0.49378 30.6723
14 4JWX 1N4 0.00579 0.43669 33.1933
15 3OEN GLU 0.0009125 0.46617 35.2941
16 5DT6 GLU 0.000328 0.50301 36.5546
17 2RC8 DSN 0.0008592 0.47274 37.395
18 4IO2 GLU 0.0001187 0.43994 39.916
19 5IKB KAI 0.001736 0.44756 44.5378
20 4C0R GDS 0.00009805 0.47893 47.0588
21 4KQP GLN 0.00000001984 0.72536 47.4138
22 2PYY GLU 0.0000126 0.45229 49.1228
23 2Q2A ARG 0.0000001801 0.63692 49.1597
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