Receptor
PDB id Resolution Class Description Source Keywords
6CI5 2 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF THE FORMYLTRANSFERASE PSEJ FROM ANOXYBA KAMCHATKENSIS IN COMPLEX WITH UDP-4,6-DIDEOXY-4-FORMAMIDO-LA ND TETRAHYDROFOLATE 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:301;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
1YJ A:303;
Valid;
Atoms found LESS than expected: % Diff = 0;
submit data
445.429 C19 H23 N7 O6 c1cc(...
F5G A:302;
Valid;
none;
submit data
618.38 C18 H28 N4 O16 P2 C[C@H...
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 307 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 275 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
Ligand no: 1; Ligand: 1YJ; Similar ligands found: 29
No: Ligand ECFP6 Tc MDL keys Tc
1 1YJ 1 1
2 THG 1 1
3 1YA 0.66 0.954545
4 C2F 0.623762 0.887324
5 FFO 0.617647 0.926471
6 FON 0.518182 0.926471
7 FOZ 0.518182 0.926471
8 THF 0.490909 0.873239
9 9L9 0.484848 0.892308
10 TLL 0.478632 0.863014
11 FGD 0.471698 0.846154
12 MEF 0.469027 0.84
13 DHF 0.462963 1
14 THH 0.455357 0.733333
15 GHC 0.454545 0.684211
16 29D 0.452174 0.838235
17 28Z 0.452174 0.838235
18 3TZ 0.452174 0.774648
19 29C 0.452174 0.838235
20 83A 0.45045 0.826087
21 GHW 0.449541 0.693333
22 GUE 0.431034 0.875
23 DZF 0.428571 0.848485
24 FOL 0.428571 0.863636
25 LYA 0.422018 0.782609
26 DXY 0.401786 0.777778
27 DXZ 0.401786 0.777778
28 DDF 0.4 0.910448
29 21V 0.4 0.910448
Ligand no: 2; Ligand: F5G; Similar ligands found: 72
No: Ligand ECFP6 Tc MDL keys Tc
1 F5G 1 1
2 F5P 0.782178 0.985507
3 UD4 0.782178 0.985507
4 HP7 0.745098 0.985294
5 UD2 0.742574 0.971014
6 UD1 0.742574 0.971014
7 UD7 0.711538 1
8 MJZ 0.704762 0.957143
9 UDZ 0.688073 0.893333
10 EPZ 0.660714 0.985507
11 EEB 0.654867 0.971429
12 UGA 0.640777 0.970588
13 UGB 0.640777 0.970588
14 EPU 0.640351 0.943662
15 UPG 0.623762 0.956522
16 GUD 0.623762 0.956522
17 UFM 0.623762 0.956522
18 GDU 0.623762 0.956522
19 4RA 0.615385 0.894737
20 UMA 0.61157 0.985507
21 12V 0.607143 0.916667
22 HWU 0.607143 0.916667
23 UDX 0.605769 0.956522
24 UAD 0.605769 0.956522
25 USQ 0.59434 0.835443
26 UFG 0.590476 0.90411
27 UPF 0.590476 0.90411
28 U2F 0.590476 0.90411
29 UDM 0.581818 0.929577
30 UDP 0.578947 0.927536
31 UTP 0.57732 0.927536
32 G3N 0.574074 0.929577
33 U5F 0.571429 0.927536
34 U20 0.570312 0.871795
35 U22 0.570312 0.85
36 U21 0.570312 0.871795
37 UNP 0.56 0.901408
38 UAG 0.551471 0.931507
39 UD0 0.547445 0.883117
40 IUG 0.542373 0.825
41 UDH 0.537736 0.831169
42 660 0.53271 0.915493
43 URM 0.53271 0.915493
44 3UC 0.526786 0.90411
45 UPP 0.523364 0.928571
46 UPU 0.519231 0.927536
47 U 0.515789 0.913043
48 U5P 0.515789 0.913043
49 UML 0.506757 0.871795
50 UDP UDP 0.5 0.898551
51 44P 0.5 0.888889
52 2KH 0.495146 0.901408
53 PMP UD1 0.485714 0.848101
54 2QR 0.460432 0.8375
55 C5G 0.448276 0.90411
56 Y6W 0.447368 0.878378
57 UP5 0.4375 0.844156
58 4TG 0.435484 0.918919
59 U U 0.431034 0.914286
60 CXY 0.420168 0.90411
61 4TC 0.419847 0.822785
62 UAG API 0.41875 0.87013
63 CSV 0.414634 0.842105
64 CSQ 0.414634 0.842105
65 LSU 0.413793 0.752941
66 YSU 0.413223 0.741176
67 URI 0.410526 0.826087
68 2GW 0.408 0.916667
69 1GW 0.407692 0.88
70 U1S 0.40708 0.789474
71 1YF 0.404762 0.918919
72 FNF 0.404762 0.918919
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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