Receptor
PDB id Resolution Class Description Source Keywords
6CI4 1.82 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF THE FORMYLTRANSFERASE PSEJ FROM ANOXYBA KAMCHATKENSIS SOAKED WITH UDP-4-AMINO-4,6-DIDEOXY-L-ALTNAC 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
F5P A:301;
 Valid;
 none;
 submit data
590.37 C17 H28 N4 O15 P2 C[C@H...
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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: F5P; Similar ligands found: 71
No: Ligand ECFP6 Tc MDL keys Tc
1 UD4 1 1
2 F5P 1 1
3 F5G 0.782178 0.985507
4 MJZ 0.754902 0.971429
5 HP7 0.745098 0.971014
6 UD2 0.742574 0.957143
7 UD1 0.742574 0.957143
8 UD7 0.711538 0.985507
9 UDZ 0.688073 0.881579
10 AWU 0.683673 0.971014
11 EEB 0.654867 0.957747
12 EPZ 0.646018 0.971429
13 UGB 0.640777 0.956522
14 UGA 0.640777 0.956522
15 EPU 0.640351 0.930556
16 UFM 0.623762 0.942857
17 UPG 0.623762 0.942857
18 GDU 0.623762 0.942857
19 UGF 0.619048 0.90411
20 12V 0.607143 0.90411
21 HWU 0.607143 0.90411
22 UPF 0.605769 0.891892
23 UAD 0.605769 0.942857
24 UDX 0.605769 0.942857
25 U2F 0.605769 0.891892
26 G3N 0.603774 0.943662
27 4RA 0.603053 0.883117
28 UMA 0.598361 0.971429
29 USQ 0.59434 0.825
30 UFG 0.590476 0.891892
31 UDM 0.581818 0.916667
32 UDP 0.578947 0.914286
33 UTP 0.57732 0.914286
34 UNP 0.575758 0.888889
35 U5F 0.571429 0.914286
36 U20 0.570312 0.860759
37 U21 0.570312 0.860759
38 U22 0.570312 0.839506
39 UDH 0.552381 0.844156
40 IUG 0.542373 0.814815
41 UAG 0.540146 0.918919
42 UD0 0.536232 0.871795
43 URM 0.53271 0.902778
44 660 0.53271 0.902778
45 3UC 0.526786 0.891892
46 UPP 0.523364 0.915493
47 UPU 0.519231 0.914286
48 U 0.515789 0.9
49 U5P 0.515789 0.9
50 UML 0.506757 0.884615
51 44P 0.5 0.876712
52 2KH 0.495146 0.888889
53 UDP UDP 0.485149 0.885714
54 PMP UD1 0.475177 0.860759
55 UDP GAL 0.464912 0.915493
56 2QR 0.460432 0.82716
57 Y6W 0.460177 0.866667
58 UP5 0.448819 0.857143
59 C5G 0.448276 0.917808
60 4TC 0.430769 0.835443
61 0FX 0.42623 0.92
62 CXY 0.420168 0.917808
63 FZK 0.415929 0.761905
64 CSV 0.414634 0.855263
65 CSQ 0.414634 0.855263
66 LSU 0.413793 0.764706
67 YSU 0.413223 0.752941
68 URI 0.410526 0.814286
69 2GW 0.408 0.90411
70 U1S 0.40708 0.779221
71 UAG API 0.401235 0.883117
Similar Ligands (3D)
Ligand no: 1; Ligand: F5P; 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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