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: 31
This union binding pocket(no: 1) in the query (biounit: 4dbh.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2C49 ADN 0.001787 0.45942 1.73611
2 2D24 XYS XYS 0.005586 0.42076 1.73611
3 3QFU ADP 0.02213 0.40425 1.73611
4 3WQT ANP 0.02979 0.40308 2.08333
5 1KOJ PAN 0.02048 0.40707 2.43056
6 1F76 FMN 0.02784 0.40874 3.125
7 2NZU BG6 0.01338 0.40134 3.21429
8 2EB5 OXL 0.000001431 0.5956 3.37079
9 3B1Q NOS 0.00186 0.45841 3.47222
10 2X61 CH 0.02378 0.4026 3.48837
11 4EHU ANP 0.02921 0.40496 3.98551
12 5K2M ADP 0.031 0.40287 4.0293
13 5D2H AKG 0.00004088 0.44901 4.59364
14 3FC4 EDO 0.03281 0.42884 4.86111
15 3AI7 TPP 0.01793 0.41931 5.20833
16 4COQ SAN 0.01111 0.40316 5.66802
17 1F74 NAY 0.01168 0.41487 6.14334
18 2FAH GDP 0.02167 0.4004 6.59722
19 4X5S AZM 0.008252 0.41068 6.89655
20 5KZD RCJ 0.01309 0.41262 7.29167
21 5M3E APR 0.03101 0.40793 7.63889
22 3II1 BGC 0.01125 0.40241 7.63889
23 1IN4 ADP 0.01909 0.4074 7.98611
24 3AHC TPP 0.01864 0.42312 8.33333
25 2YIP YIO 0.002918 0.42894 8.69565
26 1WUW TSU 0.007079 0.41194 8.88889
27 2BRY FAD 0.02291 0.42086 12.1528
28 3FJO FMN 0.02911 0.40147 12.5
29 4XIZ LPP 0.04199 0.40558 15.8824
30 2HZY DHJ 0.00000555 0.47239 31.25
31 2Q1A 2KT 0.00000002867 0.6507 38.5417
Pocket No.: 2; Query (leader) PDB : 4DBH; Ligand: OXL; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4dbh.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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