Receptor
PDB id Resolution Class Description Source Keywords
6FYJ 1.3 Å EC: 1.11.2.4 CYTOCHROME P450 PEROXYGENASE CYP152K6 IN COMPLEX WITH MYRIST BACILLUS METHANOLICUS HEME CYTOCHROME P450 PEROXYGENASE CYP152K6 MYRISTIC ACIDOXIDOREDUCTASE
Ref.: STRUCTURAL AND CATALYTIC PROPERTIES OF THE PEROXYGE ENZYME CYP152K6 FROM BACILLUS METHANOLICUS. J. INORG. BIOCHEM. V. 188 18 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PEG A:503;
Invalid;
none;
submit data
106.12 C4 H10 O3 C(COC...
MYR A:501;
Valid;
none;
submit data
228.371 C14 H28 O2 CCCCC...
HEM A:502;
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
6FYJ 1.3 Å EC: 1.11.2.4 CYTOCHROME P450 PEROXYGENASE CYP152K6 IN COMPLEX WITH MYRIST BACILLUS METHANOLICUS HEME CYTOCHROME P450 PEROXYGENASE CYP152K6 MYRISTIC ACIDOXIDOREDUCTASE
Ref.: STRUCTURAL AND CATALYTIC PROPERTIES OF THE PEROXYGE ENZYME CYP152K6 FROM BACILLUS METHANOLICUS. J. INORG. BIOCHEM. V. 188 18 2018
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6FYJ - MYR C14 H28 O2 CCCCCCCCCC....
70% Homology Family (2)
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 6FYJ - MYR C14 H28 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: MYR; 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: MYR; Similar ligands found: 16
No: Ligand Similarity coefficient
1 SSV 0.9638
2 B33 0.9436
3 SP5 0.9377
4 ACA ACA 0.9228
5 M21 0.9224
6 C14 0.9194
7 SPM 0.9156
8 BDD 0.9155
9 TER 0.9111
10 MD2 0.9000
11 Y39 0.8981
12 FKS 0.8943
13 3M5 0.8780
14 XS6 0.8690
15 O4B 0.8633
16 BOM 0.8611
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6FYJ; Ligand: MYR; 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: 6fyj.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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