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 544 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 (18)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 186 families.
1 6MLA Kd = 42 uM ARG C6 H15 N4 O2 C(C[C@@H](....
2 1LAG Kd = 500 nM HIS C6 H10 N3 O2 c1c([nH+]c....
3 6MLI Kd = 3700 uM HIS C6 H10 N3 O2 c1c([nH+]c....
4 6MLO Kd = 0.8 uM ARG C6 H15 N4 O2 C(C[C@@H](....
5 6MLN Kd = 29 nM ARG C6 H15 N4 O2 C(C[C@@H](....
6 6ML9 Kd = 5 uM ARG C6 H15 N4 O2 C(C[C@@H](....
7 6MKW Kd = 17 uM HIS C6 H10 N3 O2 c1c([nH+]c....
8 6MLG Kd = 9 uM ARG C6 H15 N4 O2 C(C[C@@H](....
9 6MLP Kd = 200 uM HIS C6 H10 N3 O2 c1c([nH+]c....
10 1LST - LYS C6 H15 N2 O2 C(CC[NH3+]....
11 1LAF Kd = 14 nM ARG C6 H15 N4 O2 C(C[C@@H](....
12 5OWF Kd = 1.59 uM GLN C5 H10 N2 O3 C(CC(=O)N)....
13 6MKU Kd = 70 nM ARG C6 H15 N4 O2 C(C[C@@H](....
14 6MLJ Kd = 55 nM ARG C6 H15 N4 O2 C(C[C@@H](....
15 6MLE Kd = 1 nM ARG C6 H15 N4 O2 C(C[C@@H](....
16 1LAH Kd = 30 nM ORN C5 H12 N2 O2 C(C[C@@H](....
17 1HSL Kd = 0.064 uM HIS C6 H10 N3 O2 c1c([nH+]c....
18 1HPB Kd = 0.03 uM HIS C6 H10 N3 O2 c1c([nH+]c....
50% Homology Family (46)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 157 families.
1 1WDN Kd = 0.5 uM GLN C5 H10 N2 O3 C(CC(=O)N)....
2 6MLA Kd = 42 uM ARG C6 H15 N4 O2 C(C[C@@H](....
3 1LAG Kd = 500 nM HIS C6 H10 N3 O2 c1c([nH+]c....
4 6MLI Kd = 3700 uM HIS C6 H10 N3 O2 c1c([nH+]c....
5 6MLO Kd = 0.8 uM ARG C6 H15 N4 O2 C(C[C@@H](....
6 6MLN Kd = 29 nM ARG C6 H15 N4 O2 C(C[C@@H](....
7 6ML9 Kd = 5 uM ARG C6 H15 N4 O2 C(C[C@@H](....
8 6MKW Kd = 17 uM HIS C6 H10 N3 O2 c1c([nH+]c....
9 6MLG Kd = 9 uM ARG C6 H15 N4 O2 C(C[C@@H](....
10 6MLP Kd = 200 uM HIS C6 H10 N3 O2 c1c([nH+]c....
11 1LST - LYS C6 H15 N2 O2 C(CC[NH3+]....
12 1LAF Kd = 14 nM ARG C6 H15 N4 O2 C(C[C@@H](....
13 5OWF Kd = 1.59 uM GLN C5 H10 N2 O3 C(CC(=O)N)....
14 6MKU Kd = 70 nM ARG C6 H15 N4 O2 C(C[C@@H](....
15 6MLJ Kd = 55 nM ARG C6 H15 N4 O2 C(C[C@@H](....
16 6MLE Kd = 1 nM ARG C6 H15 N4 O2 C(C[C@@H](....
17 1LAH Kd = 30 nM ORN C5 H12 N2 O2 C(C[C@@H](....
18 6A8S Kd = 0.00000145 M CYS C3 H7 N O2 S C([C@@H](C....
19 6A80 Kd = 0.00000145 M CYS C3 H7 N O2 S C([C@@H](C....
20 6AA1 - CIT C6 H8 O7 C(C(=O)O)C....
21 5OT8 Kd = 52 uM 6DB C9 H18 N4 O4 [H]/N=C(/N....
22 5OT9 Kd = 84.4 uM AOZ C9 H13 N3 O4 CC(C(=O)O)....
23 5OTC Kd = 23 uM AQK C7 H14 N2 O4 C(C[C@@H](....
24 4POW Kd = 0.57 uM OP1 C11 H18 N4 O5 [H]/N=C(N)....
25 5ITO Kd = 68.9 uM 6DB C9 H18 N4 O4 [H]/N=C(/N....
26 5ITP Kd = 6.1 uM 6DB C9 H18 N4 O4 [H]/N=C(/N....
27 4POX Kd = 3.7 uM 2W2 C11 H20 N4 O6 [H]/N=C(/N....
28 5OTA Kd = 4.4 uM AQQ C8 H16 N2 O4 C[C@H](C(=....
29 4PP0 - OP1 C11 H18 N4 O5 [H]/N=C(N)....
30 6SVF - ARG C6 H15 N4 O2 C(C[C@@H](....
31 6Q3U - ARG C6 H15 N4 O2 C(C[C@@H](....
32 2Y7I - ARG C6 H15 N4 O2 C(C[C@@H](....
33 4G4P Kd = 0.13 uM GLN C5 H10 N2 O3 C(CC(=O)N)....
34 2PVU Kd = 0.49 uM LYS C6 H15 N2 O2 C(CC[NH3+]....
35 2Q2C Kd = 0.42 uM HIS C6 H10 N3 O2 c1c([nH+]c....
36 4YMX Kd = 79 nM ARG C6 H15 N4 O2 C(C[C@@H](....
37 2PYY Kd = 0.2 uM GLU C5 H9 N O4 C(CC(=O)O)....
38 1HSL Kd = 0.064 uM HIS C6 H10 N3 O2 c1c([nH+]c....
39 1HPB Kd = 0.03 uM HIS C6 H10 N3 O2 c1c([nH+]c....
40 3VVF - ARG C6 H15 N4 O2 C(C[C@@H](....
41 3VVD - ORN C5 H12 N2 O2 C(C[C@@H](....
42 5L9O Kd = 4 uM GOP C11 H22 N2 O8 C(CC(=O)N)....
43 4ZV1 Kd = 5.7 uM ARG C6 H15 N4 O2 C(C[C@@H](....
44 4ZV2 Kd = 1.2 mM GLN C5 H10 N2 O3 C(CC(=O)N)....
45 5ORG Kd = 9 nM 6DB C9 H18 N4 O4 [H]/N=C(/N....
46 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 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: 1hsl.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1HSL; Ligand: HIS; 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: 1hsl.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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