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Receptor
PDB id Resolution Class Description Source Keywords
1WPV 1.7 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF ACTIVATED BINARY COMPLEX OF HUTP, AN RN ANTI-TERMINATION PROTEIN BACILLUS SUBTILIS HUTP RNA BINDING ANTITERMINATION TRANSCRIPTION REGULATIONHISTIDINE CONFORMATIONAL CHANGE ALLOSTERIC ACTIVATION RNPROTEIN
Ref.: STRUCTURAL BASIS OF HUTP-MEDIATED ANTI-TERMINATION OF THE MG2+ ION AND L-HISTIDINE LIGAND. NATURE V. 434 183 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HIS A:1001;
A:2001;
C:3001;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
156.162 C6 H10 N3 O2 c1c([...
MG A:2002;
B:3002;
C:1002;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1WPV 1.7 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF ACTIVATED BINARY COMPLEX OF HUTP, AN RN ANTI-TERMINATION PROTEIN BACILLUS SUBTILIS HUTP RNA BINDING ANTITERMINATION TRANSCRIPTION REGULATIONHISTIDINE CONFORMATIONAL CHANGE ALLOSTERIC ACTIVATION RNPROTEIN
Ref.: STRUCTURAL BASIS OF HUTP-MEDIATED ANTI-TERMINATION OF THE MG2+ ION AND L-HISTIDINE LIGAND. NATURE V. 434 183 2005
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 291 families.
1 1WPV - HIS C6 H10 N3 O2 c1c([nH+]c....
2 1WRN - HIS C6 H10 N3 O2 c1c([nH+]c....
3 1WRO - HIS C6 H10 N3 O2 c1c([nH+]c....
4 4H4L - 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 1205 families.
1 1WPV - HIS C6 H10 N3 O2 c1c([nH+]c....
2 1WRN - HIS C6 H10 N3 O2 c1c([nH+]c....
3 1WRO - HIS C6 H10 N3 O2 c1c([nH+]c....
4 4H4L - HIS C6 H10 N3 O2 c1c([nH+]c....
5 4OKQ - HIS C6 H10 N3 O2 c1c([nH+]c....
6 4OK9 - HIS C6 H10 N3 O2 c1c([nH+]c....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 1WPV - HIS C6 H10 N3 O2 c1c([nH+]c....
2 1WRN - HIS C6 H10 N3 O2 c1c([nH+]c....
3 1WRO - HIS C6 H10 N3 O2 c1c([nH+]c....
4 4H4L - HIS C6 H10 N3 O2 c1c([nH+]c....
5 4OKQ - HIS C6 H10 N3 O2 c1c([nH+]c....
6 4OK9 - HIS C6 H10 N3 O2 c1c([nH+]c....
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 : 1WPV; Ligand: HIS; Similar sites found with APoc: 11
This union binding pocket(no: 1) in the query (biounit: 1wpv.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
1 2V5E SCR None
2 3FGZ BEF None
3 4K10 NI9 1.36054
4 2VDF OCT 3.40136
5 2BIF SIN 4.7619
6 2Z9I GLY ALA THR VAL 4.7619
7 3ZO7 K6H 8.51064
8 5BWD FUM 8.84354
9 1RL4 BL5 9.52381
10 1PU7 39A 10.2041
11 6B4H IHP 12.2449
Pocket No.: 2; Query (leader) PDB : 1WPV; 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: 1wpv.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1WPV; Ligand: HIS; Similar sites found with APoc: 4
This union binding pocket(no: 3) in the query (biounit: 1wpv.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 1CEB AMH None
2 1ZNY GDP 4.08163
3 4UCC ZKW 6.80272
4 4UMJ BFQ 12.2449
Pocket No.: 4; Query (leader) PDB : 1WPV; 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: 4) in the query (biounit: 1wpv.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1WPV; Ligand: HIS; Similar sites found with APoc: 1
This union binding pocket(no: 5) in the query (biounit: 1wpv.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 5E58 CPZ 4.7619
Pocket No.: 6; Query (leader) PDB : 1WPV; 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: 6) in the query (biounit: 1wpv.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
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