Receptor
PDB id Resolution Class Description Source Keywords
1XXA 2.2 Å NON-ENZYME: TRANSCRIPT_TRANSLATE C-TERMINAL DOMAIN OF ESCHERICHIA COLI ARGININE REPRESSOR/ L- ARGININE COMPLEX; PB DERIVATIVE ESCHERICHIA COLI K12 COMPLEX (DNA BINDING PROTEIN/PEPTIDE)
Ref.: STRUCTURE OF THE OLIGOMERIZATION AND L-ARGININE BINDING DOMAIN OF THE ARGININE REPRESSOR OF ESCHERICHIA COLI. J.MOL.BIOL. V. 256 377 1996
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ARG A:1;
A:157;
C:1;
D:1;
E:1;
F:1;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
submit data
175.209 C6 H15 N4 O2 C(C[C...
PB C:416;
C:419;
D:418;
F:417;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
207.2 Pb [Pb+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1XXA 2.2 Å NON-ENZYME: TRANSCRIPT_TRANSLATE C-TERMINAL DOMAIN OF ESCHERICHIA COLI ARGININE REPRESSOR/ L- ARGININE COMPLEX; PB DERIVATIVE ESCHERICHIA COLI K12 COMPLEX (DNA BINDING PROTEIN/PEPTIDE)
Ref.: STRUCTURE OF THE OLIGOMERIZATION AND L-ARGININE BINDING DOMAIN OF THE ARGININE REPRESSOR OF ESCHERICHIA COLI. J.MOL.BIOL. V. 256 377 1996
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 257 families.
1 1XXA - ARG C6 H15 N4 O2 C(C[C@@H](....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 222 families.
1 1XXA - ARG C6 H15 N4 O2 C(C[C@@H](....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 185 families.
1 1B4B - ARG C6 H15 N4 O2 C(C[C@@H](....
2 1XXA - ARG C6 H15 N4 O2 C(C[C@@H](....
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 : 1XXA; Ligand: ARG; Similar sites found: 43
This union binding pocket(no: 1) in the query (biounit: 1xxa.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3RV5 DXC 0.004798 0.44141 None
2 1G0N PHH 0.02579 0.42536 None
3 1G0N NDP 0.0246 0.42375 None
4 2E1A MSE 0.005314 0.41067 None
5 2VOH CIT 0.007209 0.40768 None
6 1FDJ 13P 0.005122 0.40046 None
7 4YMU ARG 0.01258 0.4 None
8 4CM9 NAP 0.02359 0.41626 2.5641
9 5K6A NAP 0.02626 0.41376 2.5641
10 5JDI NAP 0.04199 0.4016 2.5641
11 1VPD TLA 0.01698 0.4001 2.5641
12 5LRT ADP 0.01692 0.41733 3.84615
13 5KVA SAM 0.01911 0.41154 5.12821
14 4Y2H SAH 0.02311 0.42619 7.69231
15 3MJY IJZ 0.01976 0.42273 7.69231
16 4U60 SIA 0.01331 0.40538 7.69231
17 5XVQ 8GC 0.006296 0.41716 8.97436
18 5LAU AR6 0.01807 0.41582 8.97436
19 1Q8P MAN MMA 0.006112 0.4154 8.97436
20 5TE1 7A2 0.004751 0.41175 8.97436
21 2PHW MAN MAN 0.009068 0.40708 8.97436
22 2PHR MAN MAN 0.009541 0.406 8.97436
23 2GND MAN MMA 0.01039 0.4042 8.97436
24 5U5G NAP 0.03692 0.40461 10.2564
25 4MRP GSH 0.01124 0.40205 10.2564
26 4UCC ZKW 0.0006389 0.46507 12.8205
27 5K52 OCD 0.01121 0.42191 12.8205
28 3H4V DVP 0.04666 0.41184 12.8205
29 3OIX FMN 0.0268 0.40539 12.8205
30 2D24 XYS XYS 0.007194 0.40936 14.1026
31 1UUY PPI 0.01084 0.4339 15.3846
32 1LDN NAD 0.03056 0.41137 16.6667
33 3VC3 C6P 0.02931 0.40615 16.6667
34 4YSX FAD 0.008067 0.45225 17.9487
35 3GGO ENO 0.03279 0.42041 21.7949
36 4YNU LGC 0.02465 0.43214 24.359
37 4RC8 STE 0.01652 0.41483 24.359
38 5G5G FAD 0.03074 0.42112 25.641
39 1NVM NAD 0.03104 0.41321 26.9231
40 1Q9I TEO 0.03758 0.42658 29.4872
41 4L2I FAD 0.0392 0.40973 29.4872
42 3ZOD HQE 0.03556 0.40301 32.0513
43 1U72 NDP 0.04906 0.41661 39.7436
Pocket No.: 2; Query (leader) PDB : 1XXA; Ligand: ARG; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1xxa.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1XXA; Ligand: ARG; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1xxa.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1XXA; Ligand: ARG; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1xxa.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1XXA; Ligand: ARG; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 1xxa.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1XXA; Ligand: ARG; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 1xxa.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Feedback