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
Ligand no: 1; Ligand: G3N; Similar ligands found: 76
No: Ligand ECFP6 Tc MDL keys Tc
1 G3N 1 1
2 UAD 0.804598 0.971014
3 UDX 0.804598 0.971014
4 UFM 0.692308 0.942857
5 GDU 0.692308 0.942857
6 UPG 0.692308 0.942857
7 GUD 0.692308 0.942857
8 UFG 0.670213 0.891892
9 UGB 0.65625 0.956522
10 UGA 0.65625 0.956522
11 USQ 0.65625 0.848101
12 UPF 0.652632 0.891892
13 U2F 0.652632 0.891892
14 UDP 0.647059 0.914286
15 UTP 0.643678 0.914286
16 MJZ 0.609524 0.943662
17 UNP 0.604396 0.888889
18 UD4 0.603774 0.943662
19 F5P 0.603774 0.943662
20 UD2 0.596154 0.929577
21 UD1 0.596154 0.929577
22 UDH 0.59375 0.893333
23 HP7 0.584906 0.942857
24 UD7 0.584906 0.929577
25 2QR 0.581967 0.85
26 3UC 0.578431 0.891892
27 IUG 0.577982 0.814815
28 UPP 0.57732 0.915493
29 U5P 0.576471 0.9
30 U 0.576471 0.9
31 UPU 0.574468 0.914286
32 F5G 0.574074 0.929577
33 URM 0.571429 0.929577
34 660 0.571429 0.929577
35 CXY 0.558824 0.944444
36 EPZ 0.557522 0.916667
37 44P 0.556818 0.902778
38 UDZ 0.553571 0.881579
39 EPU 0.552632 0.90411
40 EEB 0.552632 0.90411
41 UDP UDP 0.538462 0.885714
42 2KH 0.531915 0.888889
43 HWU 0.531532 0.878378
44 12V 0.531532 0.878378
45 UMA 0.528926 0.916667
46 UDM 0.518519 0.916667
47 UP5 0.5 0.857143
48 U22 0.492188 0.839506
49 C5G 0.490566 0.917808
50 U21 0.48062 0.8375
51 U20 0.48062 0.8375
52 4TC 0.478992 0.858974
53 Y6W 0.47619 0.891892
54 UAG 0.467153 0.918919
55 CSV 0.464286 0.855263
56 CSQ 0.464286 0.855263
57 4RA 0.459854 0.835443
58 URI 0.458824 0.814286
59 U U 0.457944 0.901408
60 UD0 0.453237 0.825
61 UML 0.44898 0.884615
62 2GW 0.443478 0.90411
63 PUP 0.440367 0.863014
64 U3P 0.430108 0.859155
65 UA3 0.430108 0.859155
66 TDX 0.428571 0.905405
67 CJB 0.426966 0.8
68 HF4 0.421569 0.890411
69 CTP 0.421569 0.890411
70 CDP 0.42 0.890411
71 1GW 0.418033 0.868421
72 A U 0.416 0.810127
73 G U 0.409449 0.771084
74 DUT 0.407767 0.888889
75 U4S 0.40625 0.736842
76 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 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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