Receptor
PDB id Resolution Class Description Source Keywords
4L40 2.5 Å EC: 1.-.-.- STRUCTURE OF THE P450 OLET WITH A C20 FATTY ACID SUBSTRATE B JEOTGALICOCCUS SP. ATCC 8456 CYTOCHROME P450 PEROXYGENASE FATTY ACID DECARBOXYLASE OXIDOREDUCTASE
Ref.: STRUCTURE AND BIOCHEMICAL PROPERTIES OF THE ALKENE CYTOCHROME P450 OLETJE (CYP152L1) FROM THE JEOTGALI SP. 8456 BACTERIUM. J.BIOL.CHEM. V. 289 6535 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DCR A:502;
 Valid;
 none;
 Kd = 0.29 uM
312.53 C20 H40 O2 CCCCC...
HEM A:501;
 Part of Protein;
 none;
 submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4L40 2.5 Å EC: 1.-.-.- STRUCTURE OF THE P450 OLET WITH A C20 FATTY ACID SUBSTRATE B JEOTGALICOCCUS SP. ATCC 8456 CYTOCHROME P450 PEROXYGENASE FATTY ACID DECARBOXYLASE OXIDOREDUCTASE
Ref.: STRUCTURE AND BIOCHEMICAL PROPERTIES OF THE ALKENE CYTOCHROME P450 OLETJE (CYP152L1) FROM THE JEOTGALI SP. 8456 BACTERIUM. J.BIOL.CHEM. V. 289 6535 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 383 families.
1 4L40 Kd = 0.29 uM DCR C20 H40 O2 CCCCCCCCCC....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 337 families.
1 4L40 Kd = 0.29 uM DCR C20 H40 O2 CCCCCCCCCC....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1IZO - PAM C16 H30 O2 CCCCCCC=C/....
2 4L40 Kd = 0.29 uM DCR C20 H40 O2 CCCCCCCCCC....
3 6FYJ - MYR C14 H28 O2 CCCCCCCCCC....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: DCR; Similar ligands found: 64
No: Ligand ECFP6 Tc MDL keys Tc
1 PLM 1 1
2 STE 1 1
3 MYR 1 1
4 TDA 1 1
5 F23 1 1
6 DAO 1 1
7 X90 1 1
8 DCR 1 1
9 KNA 1 1
10 11A 1 1
11 EW8 1 1
12 F15 1 1
13 DKA 1 1
14 OCA 0.956522 1
15 SHV 0.833333 0.952381
16 KTC 0.793103 0.875
17 AZ1 0.73913 0.64
18 6NA 0.72 0.904762
19 ELA 0.71875 0.954545
20 NER 0.71875 0.954545
21 OLA 0.71875 0.954545
22 PAM 0.666667 0.954545
23 VCA 0.666667 0.954545
24 PML 0.625 0.6
25 3LA 0.606061 0.8
26 LEA 0.6 0.809524
27 MYZ 0.588235 0.909091
28 12H 0.586207 0.615385
29 ODD 0.567568 0.913043
30 BRC 0.566667 0.666667
31 14V 0.555556 0.740741
32 M12 0.545455 0.869565
33 14U 0.542857 0.703704
34 EOD 0.538462 0.7
35 EIC 0.538462 0.913043
36 BMJ 0.5 0.954545
37 BNV 0.5 0.954545
38 D0G 0.5 0.954545
39 BUA 0.48 0.666667
40 RCL 0.468085 0.84
41 FTT 0.459459 0.807692
42 56S 0.459459 0.653846
43 HXD 0.459459 0.807692
44 T4T 0.459459 0.8
45 ODT 0.452381 0.782609
46 3X1 0.444444 0.818182
47 LNL 0.44186 0.826087
48 9J6 0.441176 0.666667
49 OOA 0.441176 0.76
50 CUY 0.435897 0.68
51 CNS 0.435897 0.68
52 6UL 0.435897 0.68
53 5UF 0.432432 0.807692
54 243 0.428571 0.807692
55 EKG 0.418605 0.606061
56 GYM 0.418605 0.606061
57 1QW 0.418605 0.606061
58 OC9 0.413793 0.75
59 PL3 0.413793 0.75
60 F09 0.413793 0.75
61 DE1 0.413793 0.75
62 1DO 0.413793 0.75
63 O8N 0.413793 0.75
64 T25 0.403846 0.677419
Similar Ligands (3D)
Ligand no: 1; Ligand: DCR; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4L40; Ligand: DCR; 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: 4l40.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
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