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Receptor
PDB id Resolution Class Description Source Keywords
4DBH 1.94 Å EC: 5.3.3.- CRYSTAL STRUCTURE OF CG1458 WITH INHIBITOR CORYNEBACTERIUM GLUTAMICUM OXALOACETATE DECARBOXYLASE OXALATE MG++ ISOMERASE
Ref.: CRYSTAL STRUCTURES OF CG1458 REVEAL A CATALYTIC LID AND A COMMON CATALYTIC MECHANISM FOR FAH FAMILY. BIOCHEM.J. V. 449 51 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:401;
B:401;
B:403;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
OXL A:402;
B:402;
Valid;
Valid;
none;
none;
submit data
88.019 C2 O4 C(=O)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4DBH 1.94 Å EC: 5.3.3.- CRYSTAL STRUCTURE OF CG1458 WITH INHIBITOR CORYNEBACTERIUM GLUTAMICUM OXALOACETATE DECARBOXYLASE OXALATE MG++ ISOMERASE
Ref.: CRYSTAL STRUCTURES OF CG1458 REVEAL A CATALYTIC LID AND A COMMON CATALYTIC MECHANISM FOR FAH FAMILY. BIOCHEM.J. V. 449 51 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4DBH - OXL C2 O4 C(=O)(C(=O....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4DBH - OXL C2 O4 C(=O)(C(=O....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4DBH - OXL C2 O4 C(=O)(C(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: OXL; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 OXL 1 1
2 MLI 0.416667 0.642857
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4DBH; Ligand: OXL; Similar sites found with APoc: 70
This union binding pocket(no: 1) in the query (biounit: 4dbh.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 2Z3N PHE ARG TYR LEU GLY 1.71674
2 2C49 ADN 1.73611
3 2D24 XYS XYS 1.73611
4 3QFU ADP 1.73611
5 2ZKJ ADP 1.73611
6 2YG3 FAD 2.08333
7 2XGT NSS 2.08333
8 3WQT ANP 2.08333
9 6ALW BNV 2.08333
10 1QDS PGA 2.39044
11 1KOJ PAN 2.43056
12 2B1Q TRE 2.43056
13 3TTC ADP 2.77778
14 3VKC FPQ 2.7972
15 5XHA FRU 3.125
16 1F76 FMN 3.125
17 5W0N 2KH 3.125
18 5M7P ADP 3.125
19 2NZU BG6 3.21429
20 5GP0 GPP 3.3557
21 2EB5 OXL 3.37079
22 3B1Q NOS 3.47222
23 1RO7 CSF 3.4749
24 2X61 CH 3.48837
25 5MR6 FAD 3.81944
26 4EHU ANP 3.98551
27 5K2M ADP 4.0293
28 5HR5 ADP 4.14313
29 2C9O ADP 4.16667
30 5D2H AKG 4.59364
31 4XF6 LIP 4.7619
32 4XF6 INS 4.7619
33 4XF6 ADP 4.7619
34 3FC4 EDO 4.86111
35 3AI7 TPP 5.20833
36 1PJ6 FOL 5.55556
37 4COQ SAN 5.66802
38 6F97 FAD 5.90278
39 5OD2 GLC 5.90278
40 1F74 NAY 6.14334
41 1F0X FAD 6.59722
42 2ICY UPG 6.59722
43 2FAH GDP 6.59722
44 4X5S AZM 6.89655
45 4IMG NGF 6.94444
46 5KZD RCJ 7.29167
47 5EXT ADP 7.30769
48 5M3E APR 7.63889
49 3II1 BGC 7.63889
50 1KNM LAT 7.69231
51 4XDA ADP 7.98611
52 1IN4 ADP 7.98611
53 2ZC0 PMP 7.98611
54 3AHC TPP 8.33333
55 4G7A AZM 8.46774
56 2YIP YIO 8.69565
57 1WUW TSU 8.88889
58 3VMG 9CA 9.56522
59 1DL5 SAH 9.77918
60 1SW0 PGA 10.4839
61 5YYF PHQ GLN THR ALA ARG LYS NH2 FOA 10.6383
62 2BRY FAD 12.1528
63 5G3U FDA 12.1528
64 3REF GDP 12.3711
65 3FJO FMN 12.5
66 2QWO ADP 15.2174
67 4XIZ LPP 15.8824
68 2HZY DHJ 31.25
69 2Q1A 2KT 38.5417
70 6FOG OXL 46.875
Pocket No.: 2; Query (leader) PDB : 4DBH; Ligand: OXL; Similar sites found with APoc: 14
This union binding pocket(no: 2) in the query (biounit: 4dbh.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 1X54 4AD 2.08333
2 2I6A 5I5 2.08333
3 6G3R ADP 2.43056
4 3FRK TQP 3.81944
5 1V97 MTE 4.51389
6 4Z7X 3CX 4.62185
7 1WBI BTN 4.65116
8 2AQX ATP 4.86111
9 5EB4 FAD 5.20833
10 3TAO PGH 5.24345
11 3OVR 5SP 5.26316
12 3FZG SAM 6
13 5AE9 OKO 7.98611
14 5TWJ SAM 12.3457
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