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 510 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 (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: 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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