Receptor
PDB id Resolution Class Description Source Keywords
4RC8 1.71 Å EC: 4.1.99.5 CRYSTAL STRUCTURE OF CYANOBACTERIAL ALDEHYDE-DEFORMYLATING O BOUND WITH FATTY ACID SYNECHOCOCCUS ELONGATUS PCC 7942 OXYGENASE LYASE
Ref.: STRUCTURAL INSIGHTS INTO THE CATALYTIC MECHANISM OF ALDEHYDE-DEFORMYLATING OXYGENASES PROTEIN CELL 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
STE A:301;
Valid;
none;
submit data
284.477 C18 H36 O2 CCCCC...
FE A:303;
A:302;
Part of Protein;
Part of Protein;
none;
none;
submit data
55.845 Fe [Fe+3...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4RC8 1.71 Å EC: 4.1.99.5 CRYSTAL STRUCTURE OF CYANOBACTERIAL ALDEHYDE-DEFORMYLATING O BOUND WITH FATTY ACID SYNECHOCOCCUS ELONGATUS PCC 7942 OXYGENASE LYASE
Ref.: STRUCTURAL INSIGHTS INTO THE CATALYTIC MECHANISM OF ALDEHYDE-DEFORMYLATING OXYGENASES PROTEIN CELL 2014
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4RC7 - PL3 C16 H34 O CCCCCCCCCC....
2 4QUW - PL3 C16 H34 O CCCCCCCCCC....
3 4RC5 - PL3 C16 H34 O CCCCCCCCCC....
4 4RC8 - STE C18 H36 O2 CCCCCCCCCC....
70% Homology Family (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4PG1 - Y39 C13 H24 O2 CCCCCCCCC[....
2 4PGK - Y69 C17 H34 O4 CCOCCOCCOC....
3 4PGI - Y69 C17 H34 O4 CCOCCOCCOC....
4 4TW3 - STE C18 H36 O2 CCCCCCCCCC....
5 4PG0 - Y39 C13 H24 O2 CCCCCCCCC[....
6 4KVS - 6NA C6 H12 O2 CCCCCC(=O)....
7 4KVQ - PLM C16 H32 O2 CCCCCCCCCC....
8 4KVR - 6NA C6 H12 O2 CCCCCC(=O)....
9 4QUW - PL3 C16 H34 O CCCCCCCCCC....
10 4RC5 - PL3 C16 H34 O CCCCCCCCCC....
11 4RC8 - STE C18 H36 O2 CCCCCCCCCC....
12 5K52 - OCD C18 H36 O CCCCCCCCCC....
50% Homology Family (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4PG1 - Y39 C13 H24 O2 CCCCCCCCC[....
2 4PGK - Y69 C17 H34 O4 CCOCCOCCOC....
3 4PGI - Y69 C17 H34 O4 CCOCCOCCOC....
4 4TW3 - STE C18 H36 O2 CCCCCCCCCC....
5 4PG0 - Y39 C13 H24 O2 CCCCCCCCC[....
6 4KVS - 6NA C6 H12 O2 CCCCCC(=O)....
7 4KVQ - PLM C16 H32 O2 CCCCCCCCCC....
8 4KVR - 6NA C6 H12 O2 CCCCCC(=O)....
9 5K53 - STE C18 H36 O2 CCCCCCCCCC....
10 4RC7 - PL3 C16 H34 O CCCCCCCCCC....
11 4QUW - PL3 C16 H34 O CCCCCCCCCC....
12 4RC5 - PL3 C16 H34 O CCCCCCCCCC....
13 4RC8 - STE C18 H36 O2 CCCCCCCCCC....
14 5K52 - OCD C18 H36 O CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: STE; Similar ligands found: 62
No: Ligand ECFP6 Tc MDL keys Tc
1 MYR 1 1
2 KNA 1 1
3 X90 1 1
4 11A 1 1
5 F23 1 1
6 DKA 1 1
7 DCR 1 1
8 PLM 1 1
9 TDA 1 1
10 EW8 1 1
11 STE 1 1
12 DAO 1 1
13 F15 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 NER 0.71875 0.954545
20 OLA 0.71875 0.954545
21 ELA 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 BNV 0.5 0.954545
37 BMJ 0.5 0.954545
38 D0G 0.5 0.954545
39 BUA 0.48 0.666667
40 RCL 0.468085 0.84
41 HXD 0.459459 0.807692
42 56S 0.459459 0.653846
43 FTT 0.459459 0.807692
44 ODT 0.452381 0.782609
45 3X1 0.444444 0.818182
46 LNL 0.44186 0.826087
47 OOA 0.441176 0.76
48 9J6 0.441176 0.666667
49 CUY 0.435897 0.68
50 CNS 0.435897 0.68
51 6UL 0.435897 0.68
52 5UF 0.432432 0.807692
53 243 0.428571 0.807692
54 GYM 0.418605 0.606061
55 1QW 0.418605 0.606061
56 1DO 0.413793 0.75
57 F09 0.413793 0.75
58 DE1 0.413793 0.75
59 O8N 0.413793 0.75
60 OC9 0.413793 0.75
61 PL3 0.413793 0.75
62 T25 0.403846 0.677419
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4RC8; Ligand: STE; 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: 4rc8.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
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