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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: 39
This union binding pocket(no: 1) in the query (biounit: 2bln.bio2) has 32 residues
No: Leader PDB Ligand Sequence Similarity
1 3R4S SIA 1.96721
2 1D8C SOR 2.29508
3 1RJW ETF 2.29508
4 3SUC ATP 2.29508
5 3LKF PC 2.67559
6 5FJJ MAN 2.95082
7 4J6O CIT 3.40909
8 1JOC ITP 4
9 3NBC LAT 4.05405
10 3KLL MAL 4.59016
11 1FQK ALF 4.91803
12 4YEE 4CQ 5.55556
13 5YW5 ADE 6.14525
14 1YQC GLV 6.47059
15 1FQJ ALF 7.14286
16 1XF1 CIT 7.21311
17 1U4L H1S 7.35294
18 5A1S FLC 7.54098
19 5CIC 51R 9.18367
20 4IJ6 SEP 9.47867
21 3HQ9 OXL 10.4918
22 4WS6 WBU 12.1849
23 4YFY 1YJ 16.1417
24 1GAR U89 20.283
25 5VYQ FON 24.3137
26 5VYQ 0FX 24.3137
27 4YEF 4CQ 24.7191
28 6EDK 1YA 25.8065
29 5UIJ TYD 28.1967
30 4LXQ FON 29.562
31 4LXQ TYD 29.562
32 1RC0 KT5 30.1435
33 3DCJ THH 30.2326
34 4XCZ FON 30.8197
35 4XCZ T3Q 30.8197
36 2CFI ZZZ 41.9672
37 4TTS 6DD 45.2459
38 5VYR GMP 45.977
39 5VYR B62 45.977
Pocket No.: 2; Query (leader) PDB : 2BLN; Ligand: FON; Similar sites found with APoc: 51
This union binding pocket(no: 2) in the query (biounit: 2bln.bio2) has 33 residues
No: Leader PDB Ligand Sequence Similarity
1 1ZEI CRS None
2 3R4S SIA 1.96721
3 4Z7X 3CX 2.10084
4 1D8C SOR 2.29508
5 3SUC ATP 2.29508
6 3LKF PC 2.67559
7 5FJJ MAN 2.95082
8 4OUJ LBT 3.27869
9 4J6O CIT 3.40909
10 4UCI ADN 3.93443
11 1JOC ITP 4
12 3NBC LAT 4.05405
13 5Y86 HRM 4.2623
14 3FXU TSU 4.59016
15 4COQ SAN 4.8583
16 6GNO XDI 5.18518
17 4K91 SIN 5.2459
18 4YEE 4CQ 5.55556
19 5FUI APY 6.06061
20 5YW5 ADE 6.14525
21 1YQC GLV 6.47059
22 1FQJ ALF 7.14286
23 1U4L H1S 7.35294
24 5A1S FLC 7.54098
25 4G9N NGA 7.69231
26 5YRV 5AD 8.19672
27 1KNM LAT 8.46154
28 1W1A NDG 8.94942
29 4J6W C 9.7561
30 3HQ9 OXL 10.4918
31 1XVB BHL BHL 12.1311
32 4WS6 WBU 12.1849
33 2DC1 CIT 12.2881
34 2ZQO NGA 14.6154
35 5L2R MLA 14.7541
36 4YFY 1YJ 16.1417
37 1GAR U89 20.283
38 5VYQ FON 24.3137
39 5VYQ 0FX 24.3137
40 6EDK 1YA 25.8065
41 5UIJ TYD 28.1967
42 4LXQ TYD 29.562
43 4LXQ FON 29.562
44 1RC0 KT5 30.1435
45 3DCJ THH 30.2326
46 4XCZ T3Q 30.8197
47 4XCZ FON 30.8197
48 2CFI ZZZ 41.9672
49 4TTS 6DD 45.2459
50 5VYR B62 45.977
51 5VYR GMP 45.977
Pocket No.: 3; Query (leader) PDB : 2BLN; Ligand: FON; Similar sites found with APoc: 13
This union binding pocket(no: 3) in the query (biounit: 2bln.bio1) has 32 residues
No: Leader PDB Ligand Sequence Similarity
1 2II3 CAO 1.14504
2 1RJW ETF 2.29508
3 5AOV GLV 3.27869
4 3BOS CDP 3.71901
5 1ZD9 GDP 4.78723
6 2GNK ATP 5.35714
7 2NU8 COA 5.57377
8 1JAY F42 6.60377
9 1XF1 CIT 7.21311
10 1M0W ANP 7.54098
11 4M6T SAM 7.65027
12 4IJ6 SEP 9.47867
13 4UYW H1S 12.459
Pocket No.: 4; Query (leader) PDB : 2BLN; Ligand: U5P; Similar sites found with APoc: 13
This union binding pocket(no: 4) in the query (biounit: 2bln.bio1) has 32 residues
No: Leader PDB Ligand Sequence Similarity
1 2II3 CAO 1.14504
2 4Z7X 3CX 2.10084
3 5N1P 8GK 2.42718
4 5AOV GLV 3.27869
5 1H3F TYE 3.47222
6 3BOS CDP 3.71901
7 1G4U AF3 4.59016
8 1ZD9 GDP 4.78723
9 2GNK ATP 5.35714
10 2NU8 COA 5.57377
11 1JAY F42 6.60377
12 4M6T SAM 7.65027
13 4UYW H1S 12.459
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