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 257 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 1068 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 922 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: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1wpv.bio1) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1WPV; Ligand: HIS; Similar sites found: 24
This union binding pocket(no: 2) in the query (biounit: 1wpv.bio1) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2E1A MSE 0.01082 0.40495 None
2 2V7T SAH 0.0106 0.40923 2.04082
3 1SS4 CIT 0.002825 0.515 3.40136
4 1SS4 GSH 0.002183 0.50043 3.40136
5 1Z44 NPO 0.01311 0.45128 3.40136
6 2V6O FAD 0.008954 0.40567 4.08163
7 2Z9V PXM 0.01688 0.40124 4.08163
8 2QLX RM4 0.02448 0.40876 4.62963
9 4BJZ FAD 0.005824 0.41117 4.7619
10 4BJZ P3A 0.005824 0.41117 4.7619
11 2Z9I GLY ALA THR VAL 0.03735 0.40121 4.7619
12 3MAG 3MA 0.01493 0.4395 5.44218
13 2Q37 3AL 0.01148 0.4134 5.44218
14 1V5F TPP 0.02776 0.40899 5.44218
15 1V5F FAD 0.02776 0.40899 5.44218
16 1Y42 TYR 0.01248 0.40691 5.44218
17 1V7R CIT 0.02199 0.43041 6.12245
18 2C31 TZD 0.009922 0.40352 6.12245
19 2C31 ADP 0.009561 0.40352 6.12245
20 3ZPG 5GP 0.001033 0.49163 6.80272
21 1QF5 RPL 0.001577 0.41602 8.16327
22 1QF5 GDP 0.001577 0.41602 8.16327
23 1RL4 BL5 0.01033 0.43487 9.52381
24 1G8S MET 0.006326 0.43061 11.5646
Pocket No.: 3; Query (leader) PDB : 1WPV; Ligand: HIS; 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: 1wpv.bio1) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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