Receptor
PDB id Resolution Class Description Source Keywords
6EDK 1.8 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF THE FORMYLTRANSFERASE PSEJ FROM ANOXYBA KAMCHATKENSIS WITH N10-FORMYLTETRAHYDROFOLATE ANOXYBACILLUS KAMCHATKENSIS G10 FORMYLTRANSFERASE TRANSFERASE
Ref.: STRUCTURAL INSIGHT INTO A NOVEL FORMYLTRANSFERASE A EVOLUTION TO A NONRIBOSOMAL PEPTIDE SYNTHETASE TAIL DOMAIN. ACS CHEM. BIOL. V. 13 3161 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 A:302;
 Invalid;
 none;
 submit data
96.063 O4 S [O-]S...
1YA A:303;
 Valid;
 none;
 submit data
473.439 C20 H23 N7 O7 c1cc(...
MES A:301;
 Invalid;
 none;
 submit data
195.237 C6 H13 N O4 S C1COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6EDK 1.8 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF THE FORMYLTRANSFERASE PSEJ FROM ANOXYBA KAMCHATKENSIS WITH N10-FORMYLTETRAHYDROFOLATE ANOXYBACILLUS KAMCHATKENSIS G10 FORMYLTRANSFERASE TRANSFERASE
Ref.: STRUCTURAL INSIGHT INTO A NOVEL FORMYLTRANSFERASE A EVOLUTION TO A NONRIBOSOMAL PEPTIDE SYNTHETASE TAIL DOMAIN. ACS CHEM. BIOL. V. 13 3161 2018
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 313 families.
1 6CI4 - F5P C17 H28 N4 O15 P2 C[C@H]1[C@....
2 6CI5 - 1YJ C19 H23 N7 O6 c1cc(ccc1C....
3 6EDK - 1YA C20 H23 N7 O7 c1cc(ccc1C....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 277 families.
1 6CI4 - F5P C17 H28 N4 O15 P2 C[C@H]1[C@....
2 6CI5 - 1YJ C19 H23 N7 O6 c1cc(ccc1C....
3 6EDK - 1YA C20 H23 N7 O7 c1cc(ccc1C....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 212 families.
1 6CI4 - F5P C17 H28 N4 O15 P2 C[C@H]1[C@....
2 6CI5 - 1YJ C19 H23 N7 O6 c1cc(ccc1C....
3 6EDK - 1YA C20 H23 N7 O7 c1cc(ccc1C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 1YA; Similar ligands found: 17
No: Ligand ECFP6 Tc MDL keys Tc
1 1YA 1 1
2 THG 0.66 0.954545
3 1YJ 0.66 0.954545
4 FFO 0.508929 0.970588
5 10F 0.504505 0.893939
6 C2F 0.486726 0.929577
7 MEF 0.452991 0.88
8 GHW 0.446429 0.666667
9 GHC 0.426087 0.658228
10 9L9 0.424528 0.852941
11 6DD 0.422414 0.797101
12 FON 0.413223 0.970588
13 GUE 0.404959 0.916667
14 THF 0.4 0.915493
15 DXY 0.4 0.746667
16 DXZ 0.4 0.746667
17 CB3 0.4 0.828571
Similar Ligands (3D)
Ligand no: 1; Ligand: 1YA; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6EDK; Ligand: 1YA; Similar sites found with APoc: 5
This union binding pocket(no: 1) in the query (biounit: 6edk.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
1 3DCJ THH 23.2558
2 3DCJ THH 23.2558
3 4YFY 1YJ 30.4147
4 4YFY 1YJ 30.4147
5 5VYQ FON 40.553
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