Receptor
PDB id Resolution Class Description Source Keywords
1HSL 1.89 Å NON-ENZYME: BINDING REFINED 1.89 ANGSTROMS STRUCTURE OF THE HISTIDINE-BINDING PROTEIN COMPLEXED WITH HISTIDINE AND ITS RELATIONSHIP WITH M ANY OTHER ACTIVE TRANSPORT(SLASH)CHEMOSENSORY RECEPTORS ESCHERICHIA COLI BINDING PROTEIN
Ref.: REFINED 1.89-A STRUCTURE OF THE HISTIDINE-BINDING PROTEIN COMPLEXED WITH HISTIDINE AND ITS RELATIONSHIP WITH MANY OTHER ACTIVE TRANSPORT/CHEMOSENSORY PROTEINS. BIOCHEMISTRY V. 33 4769 1994
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CD A:750;
A:751;
A:752;
A:753;
A:756;
B:754;
B:755;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
submit data
112.411 Cd [Cd+2...
HIS A:239;
B:239;
Valid;
Valid;
none;
none;
Kd = 0.064 uM
156.162 C6 H10 N3 O2 c1c([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1HSL 1.89 Å NON-ENZYME: BINDING REFINED 1.89 ANGSTROMS STRUCTURE OF THE HISTIDINE-BINDING PROTEIN COMPLEXED WITH HISTIDINE AND ITS RELATIONSHIP WITH M ANY OTHER ACTIVE TRANSPORT(SLASH)CHEMOSENSORY RECEPTORS ESCHERICHIA COLI BINDING PROTEIN
Ref.: REFINED 1.89-A STRUCTURE OF THE HISTIDINE-BINDING PROTEIN COMPLEXED WITH HISTIDINE AND ITS RELATIONSHIP WITH MANY OTHER ACTIVE TRANSPORT/CHEMOSENSORY PROTEINS. BIOCHEMISTRY V. 33 4769 1994
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 1HSL Kd = 0.064 uM HIS C6 H10 N3 O2 c1c([nH+]c....
2 1HPB Kd = 0.03 uM HIS C6 H10 N3 O2 c1c([nH+]c....
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 (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 1WDN Kd = 0.5 uM GLN C5 H10 N2 O3 C(CC(=O)N)....
2 5ITP Kd = 6.1 uM 6DB C9 H18 N4 O4 [H]/N=C(/N....
3 4POX Kd = 3.7 uM 2W2 C11 H20 N4 O6 [H]/N=C(/N....
4 2Y7I - ARG C6 H15 N4 O2 C(C[C@@H](....
5 4G4P Kd = 0.13 uM GLN C5 H10 N2 O3 C(CC(=O)N)....
6 2PVU Kd = 0.49 uM LYS C6 H15 N2 O2 C(CC[NH3+]....
7 1LAG Kd = 500 nM HIS C6 H10 N3 O2 c1c([nH+]c....
8 2PYY Kd = 0.2 uM GLU C5 H9 N O4 C(CC(=O)O)....
9 1HSL Kd = 0.064 uM HIS C6 H10 N3 O2 c1c([nH+]c....
10 4ZV1 Kd = 5.7 uM ARG C6 H15 N4 O2 C(C[C@@H](....
11 4KQP Kd = 1.49 uM GLN C5 H10 N2 O3 C(CC(=O)N)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: HIS; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 HIS 1 1
2 DHI 1 1
3 HSO 0.52381 0.846154
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1HSL; Ligand: HIS; Similar sites found: 44
This union binding pocket(no: 1) in the query (biounit: 1hsl.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1PEA ACM 0.01605 0.40293 1.68067
2 3MMG GLU THR VAL ARG PHE GLN SER ASP 0.03978 0.40139 3.36134
3 5WSY 7UC 0.002732 0.41478 3.46821
4 1U70 NDP 0.02927 0.42549 3.76344
5 2PZM UDP 0.04328 0.41658 3.78151
6 3NW7 LGV 0.04293 0.41557 3.78151
7 4ZTE 4RL 0.01382 0.41644 3.79147
8 3ML1 MGD 0.0474 0.42942 4.62185
9 5TPR NAD 0.01427 0.42874 4.62185
10 4RJK PYR 0.001356 0.4471 5.04202
11 1RO7 CSF 0.01749 0.42104 5.46218
12 5EB4 FAD 0.04774 0.40941 5.46218
13 5O4J 9KH 0.03164 0.41443 7.14286
14 5O4J SAH 0.03164 0.41443 7.14286
15 5O4J PJL 0.03554 0.41103 7.14286
16 2RCA GLY 0.000006303 0.5624 8.40336
17 4WXJ GLU 0.00006081 0.51667 8.82353
18 4U7W NDP 0.04159 0.40168 9.66387
19 1PBQ DK1 0.002466 0.4247 10.084
20 5D6J ATP 0.0164 0.41252 10.8108
21 4YNU FAD 0.01953 0.43459 12.605
22 4YNU LGC 0.02249 0.43426 12.605
23 2YJP CYS 0.000004506 0.56904 26.0504
24 2RC8 DSN 0.00001149 0.54759 28.9916
25 1II5 GLU 0.00003677 0.52341 30.9013
26 4DZ1 DAL 0.00006804 0.51449 31.9328
27 5DT6 GLU 0.00001559 0.54227 36.5546
28 4IO2 GLU 0.000006158 0.48971 37.8151
29 5O4F 8VE 0.000477 0.42275 37.8151
30 1M5B BN1 0.0003321 0.57067 38.2353
31 5CMK GLU 0.00004999 0.40438 38.6555
32 5DEX GLY 0.00002338 0.53424 39.0756
33 4JWX 1N4 0.0001944 0.47643 39.0756
34 5DEX 5E0 0.00513 0.44744 39.0756
35 5IKB KAI 0.00007868 0.52036 39.916
36 3OEN GLU 0.00001492 0.50122 39.916
37 4F2Q QUS 0.04364 0.40847 40.7563
38 2Q89 6CS 0.000000379 0.58371 42.437
39 1XT8 CYS 0.00001336 0.5457 44.1176
40 2VHA GLU 0.000002329 0.51505 44.5378
41 3VV5 SLZ 0.00000005574 0.59536 48.3193
42 2YLN CYS 0.0002705 0.47937 48.3193
43 5L9O GOP 0.000009049 0.43912 48.7395
44 2Q2A ARG 0.00000007787 0.5755 49.1597
Pocket No.: 2; Query (leader) PDB : 1HSL; Ligand: HIS; 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: 1hsl.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Feedback