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: 74
No: Ligand ECFP6 Tc MDL keys Tc
1 G3N 1 1
2 UAD 0.804598 0.971014
3 UDX 0.804598 0.971014
4 GUD 0.692308 0.942857
5 UPG 0.692308 0.942857
6 UFM 0.692308 0.942857
7 GDU 0.692308 0.942857
8 UFG 0.670213 0.891892
9 UGA 0.65625 0.956522
10 UGB 0.65625 0.956522
11 USQ 0.65625 0.848101
12 U2F 0.652632 0.891892
13 UPF 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 UD2 0.596154 0.929577
20 UD1 0.596154 0.929577
21 UDH 0.59375 0.893333
22 UD7 0.584906 0.929577
23 HP7 0.584906 0.942857
24 2QR 0.581967 0.85
25 3UC 0.578431 0.891892
26 IUG 0.577982 0.814815
27 UPP 0.57732 0.915493
28 U5P 0.576471 0.9
29 UPU 0.574468 0.914286
30 URM 0.571429 0.929577
31 660 0.571429 0.929577
32 CXY 0.558824 0.944444
33 EPZ 0.557522 0.916667
34 44P 0.556818 0.902778
35 UDZ 0.553571 0.881579
36 EEB 0.552632 0.90411
37 EPU 0.552632 0.90411
38 UDP UDP 0.538462 0.885714
39 2KH 0.531915 0.888889
40 12V 0.531532 0.878378
41 HWU 0.531532 0.878378
42 UMA 0.528926 0.916667
43 UDM 0.518519 0.916667
44 UDP GAL 0.509615 0.915493
45 UP5 0.5 0.857143
46 U22 0.492188 0.839506
47 C5G 0.490566 0.917808
48 U20 0.48062 0.8375
49 U21 0.48062 0.8375
50 4TC 0.478992 0.858974
51 Y6W 0.47619 0.891892
52 UAG 0.467153 0.918919
53 CSQ 0.464286 0.855263
54 CSV 0.464286 0.855263
55 4RA 0.459854 0.835443
56 U 0.458824 0.814286
57 URI 0.458824 0.814286
58 U U 0.457944 0.901408
59 UD0 0.453237 0.825
60 UML 0.44898 0.884615
61 2GW 0.443478 0.90411
62 PUP 0.440367 0.863014
63 U3P 0.430108 0.859155
64 UA3 0.430108 0.859155
65 TDX 0.428571 0.905405
66 CJB 0.426966 0.8
67 CTP 0.421569 0.890411
68 CDP 0.42 0.890411
69 1GW 0.418033 0.868421
70 CH 0.416667 0.837838
71 A U 0.416 0.810127
72 DUT 0.407767 0.888889
73 U4S 0.40625 0.736842
74 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: 15
This union binding pocket(no: 1) in the query (biounit: 2bln.bio2) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5FJJ MAN 0.02293 0.44246 2.95082
2 1FQK ALF 0.0482 0.40121 4.91803
3 1YQC GLV 0.005779 0.47004 6.47059
4 4YFY 1YJ 0.0000007371 0.47145 16.1417
5 1GAR U89 0.000366 0.43803 20.283
6 5VYQ FON 0.0000001745 0.46842 24.3137
7 5UIJ TYD 0.0000002488 0.57246 28.1967
8 4LXQ FON 0.000000006059 0.62762 29.562
9 4LXQ TYD 0.000000006059 0.62762 29.562
10 1RC0 KT5 0.000002344 0.51905 30.1435
11 3DCJ THH 0.0000007875 0.46588 30.2326
12 2CFI ZZZ 0.00003707 0.55721 41.9672
13 4TTS 6DD 0.000002702 0.48222 45.2459
14 5VYR GMP 0.00000001848 0.59819 45.977
15 5VYR B62 0.00000001848 0.59819 45.977
Pocket No.: 2; Query (leader) PDB : 2BLN; Ligand: FON; Similar sites found: 15
This union binding pocket(no: 2) in the query (biounit: 2bln.bio2) has 33 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5FJJ MAN 0.02383 0.44246 2.95082
2 1YQC GLV 0.006053 0.47004 6.47059
3 4G9N NGA 0.006612 0.45355 7.69231
4 4YFY 1YJ 0.00000007773 0.49535 16.1417
5 1GAR U89 0.000102 0.45563 20.283
6 5VYQ FON 0.0000001925 0.46073 24.3137
7 5UIJ TYD 0.00000005419 0.59295 28.1967
8 4LXQ FON 0.0000000006276 0.65895 29.562
9 4LXQ TYD 0.0000000006276 0.65895 29.562
10 1RC0 KT5 0.0000006189 0.53319 30.1435
11 3DCJ THH 0.0000001304 0.48295 30.2326
12 2CFI ZZZ 0.00001516 0.57903 41.9672
13 4TTS 6DD 0.0000002066 0.51162 45.2459
14 5VYR GMP 0.000000006062 0.60732 45.977
15 5VYR B62 0.000000006062 0.60732 45.977
Pocket No.: 3; Query (leader) PDB : 2BLN; Ligand: FON; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2BLN; Ligand: U5P; Similar sites found: 1
This union binding pocket(no: 4) in the query (biounit: 2bln.bio1) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1G4U AF3 0.03798 0.40293 4.59016
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