Receptor
PDB id Resolution Class Description Source Keywords
5J63 2.5 Å EC: 2.1.1.2 CRYSTAL STRUCTURE OF THE N-TERMINAL N-FORMYLTRANSFERASE DOMA (RESIDUES 1-306) OF ESCHERICHIA COLI ARNA IN COMPLEX WITH UA ND FOLINIC ACID ESCHERICHIA COLI H736 LIPOPOLYSACCHARIDE TRANSFERASE
Ref.: STRUCTURE OF THE ESCHERICHIA COLI ARNA N-FORMYLTRAN DOMAIN IN COMPLEX WITH N(5) -FORMYLTETRAHYDROFOLATE UDP-ARA4N. PROTEIN SCI. V. 25 1555 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
G3N B:401;
D:401;
A:401;
C:401;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 submit data
535.291 C14 H23 N3 O15 P2 C1[C@...
FNX D:402;
C:402;
B:402;
A:402;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 submit data
312.327 C15 H16 N6 O2 Cc1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2BLN 1.2 Å EC: 2.1.1.2 N-TERMINAL FORMYLTRANSFERASE DOMAIN OF ARNA IN COMPLEX WITH N-5-FORMYLTETRAHYDROFOLATE AND UMP ESCHERICHIA COLI TRANSFERASE FORMYLTRANSFERASE L-ARA4N BIOSYNTHESIS METHYLTRANSFERASE
Ref.: STRUCTURE AND FUNCTION OF BOTH DOMAINS OF ARNA, A DUAL FUNCTION DECARBOXYLASE AND A FORMYLTRANSFERASE, INVOLVED IN 4-AMINO-4-DEOXY-L-ARABINOSE BIOSYNTHESIS. J.BIOL.CHEM. V. 280 23000 2005
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2BLN - FON C20 H23 N7 O7 c1cc(ccc1C....
2 5J63 - FNX C15 H16 N6 O2 Cc1ccc(cc1....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2BLN - FON C20 H23 N7 O7 c1cc(ccc1C....
2 5J63 - FNX C15 H16 N6 O2 Cc1ccc(cc1....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2BLN - FON C20 H23 N7 O7 c1cc(ccc1C....
2 5J63 - FNX C15 H16 N6 O2 Cc1ccc(cc1....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: G3N; Similar ligands found: 81
No: Ligand ECFP6 Tc MDL keys Tc
1 G3N 1 1
2 UAD 0.804598 0.971014
3 UDX 0.804598 0.971014
4 GDU 0.692308 0.942857
5 UFM 0.692308 0.942857
6 UPG 0.692308 0.942857
7 AWU 0.684783 0.942857
8 UFG 0.670213 0.891892
9 UGB 0.65625 0.956522
10 USQ 0.65625 0.848101
11 UGA 0.65625 0.956522
12 U2F 0.652632 0.891892
13 UPF 0.652632 0.891892
14 UGF 0.649485 0.90411
15 UDP 0.647059 0.914286
16 UTP 0.643678 0.914286
17 U5F 0.636364 0.914286
18 MJZ 0.609524 0.943662
19 UNP 0.604396 0.888889
20 F5P 0.603774 0.943662
21 UD4 0.603774 0.943662
22 UD1 0.596154 0.929577
23 UD2 0.596154 0.929577
24 UDH 0.59375 0.893333
25 HP7 0.584906 0.942857
26 UD7 0.584906 0.929577
27 2QR 0.581967 0.85
28 3UC 0.578431 0.891892
29 IUG 0.577982 0.814815
30 UPP 0.57732 0.915493
31 U5P 0.576471 0.9
32 U 0.576471 0.9
33 UPU 0.574468 0.914286
34 F5G 0.574074 0.929577
35 URM 0.571429 0.929577
36 660 0.571429 0.929577
37 CXY 0.558824 0.944444
38 EPZ 0.557522 0.916667
39 44P 0.556818 0.902778
40 UDZ 0.553571 0.881579
41 EPU 0.552632 0.90411
42 EEB 0.552632 0.90411
43 UDP UDP 0.538462 0.885714
44 2KH 0.531915 0.888889
45 HWU 0.531532 0.878378
46 12V 0.531532 0.878378
47 UMA 0.528926 0.916667
48 UDM 0.518519 0.916667
49 UDP GAL 0.509615 0.915493
50 UP5 0.5 0.857143
51 U22 0.492188 0.839506
52 C5G 0.490566 0.917808
53 U20 0.48062 0.8375
54 U21 0.48062 0.8375
55 4TC 0.478992 0.858974
56 Y6W 0.47619 0.891892
57 UAG 0.467153 0.918919
58 CSV 0.464286 0.855263
59 CSQ 0.464286 0.855263
60 4RA 0.459854 0.835443
61 URI 0.458824 0.814286
62 UD0 0.453237 0.825
63 UML 0.44898 0.884615
64 2GW 0.443478 0.90411
65 PUP 0.440367 0.863014
66 U3P 0.430108 0.859155
67 UA3 0.430108 0.859155
68 TDX 0.428571 0.905405
69 FZK 0.428571 0.804878
70 CJB 0.426966 0.8
71 HF4 0.421569 0.890411
72 CTP 0.421569 0.890411
73 CDP 0.42 0.890411
74 1GW 0.418033 0.868421
75 LSU 0.412844 0.764706
76 DUT 0.407767 0.888889
77 U4S 0.40625 0.736842
78 0RC 0.40566 0.893333
79 BUP 0.403846 0.853333
80 YSU 0.4 0.795181
81 U2P 0.4 0.873239
Ligand no: 2; Ligand: FNX; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 FNX 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: G3N; Similar ligands found: 0
No: Ligand Similarity coefficient
Ligand no: 2; Ligand: FNX; 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 : 2BLN; Ligand: U5P; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 2bln.bio2) has 32 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2BLN; Ligand: FON; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2bln.bio2) has 33 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2BLN; Ligand: FON; 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: 2bln.bio1) has 32 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2BLN; Ligand: U5P; 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: 2bln.bio1) has 32 residues
No: Leader PDB Ligand Sequence Similarity
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