Receptor
PDB id Resolution Class Description Source Keywords
4yfy 1.9 Å NON-ENZYME: OTHER X-RAY STRUCTURE OF THE VIOF N-FORMYLTRANSFERASE FROM PROVIDE ALCALIFACIENS O30 IN COMPLEX WITH THF AND TDP-QUI4N PROVIDENCIA ALCALIFACIENS LIPOPOLYSACCHARIDE O-ANTIGEN TRANSFERASE
Ref.: MOLECULAR STRUCTURE OF AN N-FORMYLTRANSFERASE FROM PROVIDENCIA ALCALIFACIENS O30. PROTEIN SCI. V. 24 976 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:304;
 Invalid;
 none;
 submit data
62.068 C2 H6 O2 C(CO)...
0FX A:301;
B:301;
 Valid;
Valid;
 none;
none;
 submit data
547.345 C16 H27 N3 O14 P2 C[C@@...
1YJ A:302;
B:302;
 Valid;
Valid;
 none;
none;
 submit data
445.429 C19 H23 N7 O6 c1cc(...
CL A:303;
 Invalid;
 none;
 submit data
35.453 Cl [Cl-]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4YFY 1.9 Å NON-ENZYME: OTHER X-RAY STRUCTURE OF THE VIOF N-FORMYLTRANSFERASE FROM PROVIDE ALCALIFACIENS O30 IN COMPLEX WITH THF AND TDP-QUI4N PROVIDENCIA ALCALIFACIENS LIPOPOLYSACCHARIDE O-ANTIGEN TRANSFERASE
Ref.: MOLECULAR STRUCTURE OF AN N-FORMYLTRANSFERASE FROM PROVIDENCIA ALCALIFACIENS O30. PROTEIN SCI. V. 24 976 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 4YFY - 0FX C16 H27 N3 O14 P2 C[C@@H]1[C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 4YFY - 0FX C16 H27 N3 O14 P2 C[C@@H]1[C....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 212 families.
1 4NV1 - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
2 4YFY - 0FX C16 H27 N3 O14 P2 C[C@@H]1[C....
3 6V33 - FOL C19 H19 N7 O6 c1cc(ccc1C....
4 5VYQ - FON C20 H23 N7 O7 c1cc(ccc1C....
5 6V2T - 0FX C16 H27 N3 O14 P2 C[C@@H]1[C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 0FX; Similar ligands found: 67
No: Ligand ECFP6 Tc MDL keys Tc
1 0FX 1 1
2 T3F 0.804348 1
3 T3Q 0.804348 1
4 1JB 0.802198 0.973333
5 18T 0.802198 0.973333
6 TRH 0.802198 0.973333
7 4TG 0.737374 0.986667
8 MMF 0.731959 0.973684
9 DAU 0.71875 0.947368
10 QDM 0.717172 0.935897
11 1YF 0.71 0.986667
12 FNF 0.71 0.986667
13 TDX 0.708333 0.96
14 T46 0.704082 0.973333
15 0N2 0.686869 0.986842
16 DWN 0.66 0.973684
17 TTP 0.659341 0.907895
18 QUH 0.657407 0.973684
19 FUH 0.657407 0.973684
20 3R2 0.656566 0.935065
21 TYD 0.651685 0.907895
22 3YN 0.627451 0.947368
23 JHZ 0.613208 0.948718
24 AKM 0.613208 0.949367
25 TLO 0.6 0.909091
26 TMP 0.595506 0.894737
27 T4K 0.584 0.891566
28 T5K 0.584 0.891566
29 7SG 0.563492 0.879518
30 TQP 0.563492 0.879518
31 9RC 0.548077 0.802326
32 TTP MG 0.535354 0.881579
33 TBD 0.520408 0.873418
34 T5A 0.512397 0.879518
35 3DR DT DT DT DT DT 0.495652 0.896104
36 0DN 0.477778 0.779221
37 AZD 0.47619 0.851852
38 LLT 0.47191 0.815789
39 THM 0.47191 0.815789
40 JB2 0.470588 0.747126
41 UFP 0.46875 0.825
42 NYM 0.459184 0.921053
43 ATY 0.457143 0.909091
44 5HU 0.44898 0.883117
45 DUT 0.446602 0.868421
46 ATM 0.446602 0.839506
47 4TA 0.44186 0.845238
48 THP 0.44 0.881579
49 DT ME6 DT 0.44 0.8625
50 TXS 0.438776 0.7625
51 T3P 0.4375 0.857143
52 DUD 0.435644 0.868421
53 TPE 0.434783 0.910256
54 BRU 0.434343 0.825
55 D3T 0.432692 0.883117
56 AWU 0.432432 0.893333
57 FDM 0.43 0.8375
58 T3S 0.43 0.78481
59 5IU 0.43 0.825
60 F5P 0.42623 0.92
61 UD4 0.42623 0.92
62 ABT 0.412281 0.831325
63 DCP 0.411215 0.835443
64 BVP 0.40566 0.858974
65 UDX 0.4 0.893333
66 YYY 0.4 0.835443
67 UAD 0.4 0.893333
Ligand no: 2; Ligand: 1YJ; Similar ligands found: 28
No: Ligand ECFP6 Tc MDL keys Tc
1 THG 1 1
2 1YJ 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 THF 0.490909 0.873239
8 9L9 0.484848 0.892308
9 TLL 0.478632 0.863014
10 FGD 0.471698 0.846154
11 MEF 0.469027 0.84
12 DHF 0.462963 1
13 THH 0.455357 0.733333
14 GHC 0.454545 0.684211
15 29C 0.452174 0.838235
16 28Z 0.452174 0.838235
17 3TZ 0.452174 0.774648
18 29D 0.452174 0.838235
19 83A 0.45045 0.826087
20 GHW 0.449541 0.693333
21 GUE 0.431034 0.875
22 FOL 0.428571 0.863636
23 DZF 0.428571 0.848485
24 LYA 0.422018 0.782609
25 DXZ 0.401786 0.777778
26 DXY 0.401786 0.777778
27 DDF 0.4 0.910448
28 21V 0.4 0.910448
Similar Ligands (3D)
Ligand no: 1; Ligand: 0FX; Similar ligands found: 0
No: Ligand Similarity coefficient
Ligand no: 2; Ligand: 1YJ; 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 : 4YFY; Ligand: 1YJ; Similar sites found with APoc: 5
This union binding pocket(no: 1) in the query (biounit: 4yfy.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 5VYR GMP 20.4724
2 5VYR B62 20.4724
3 5VYR GMP 20.4724
4 5UIJ TYD 29.5276
5 6EDK 1YA 30.4147
Pocket No.: 2; Query (leader) PDB : 4YFY; Ligand: 1YJ; Similar sites found with APoc: 2
This union binding pocket(no: 2) in the query (biounit: 4yfy.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 5UIJ TYD 29.5276
2 6EDK 1YA 30.4147
Pocket No.: 3; Query (leader) PDB : 4YFY; Ligand: 0FX; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 4yfy.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4YFY; Ligand: 0FX; 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: 4yfy.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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