Receptor
PDB id Resolution Class Description Source Keywords
5K52 2.4 Å EC: 4.1.99.5 CRYSTAL STRUCTURES OF ALDEHYDE DEFORMYLATING OXYGENASE FROM SP. KNUA012 LIMNOTHRIX SP. KNUA012 FERRITIN-LIKE DI-IRON PROTEIN METAL BINDING PROTEIN
Ref.: CRYSTAL STRUCTURES OF ALDEHYDE DEFORMYLATING OXYGEN LIMNOTHRIX SP. KNUA012 AND OSCILLATORIA SP. KNUA011 BIOCHEM. BIOPHYS. RES. V. 477 395 2016 COMMUN.
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
OCD A:500;
C:500;
 Valid;
Valid;
 none;
none;
 submit data
268.478 C18 H36 O CCCCC...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5K52 2.4 Å EC: 4.1.99.5 CRYSTAL STRUCTURES OF ALDEHYDE DEFORMYLATING OXYGENASE FROM SP. KNUA012 LIMNOTHRIX SP. KNUA012 FERRITIN-LIKE DI-IRON PROTEIN METAL BINDING PROTEIN
Ref.: CRYSTAL STRUCTURES OF ALDEHYDE DEFORMYLATING OXYGEN LIMNOTHRIX SP. KNUA012 AND OSCILLATORIA SP. KNUA011 BIOCHEM. BIOPHYS. RES. V. 477 395 2016 COMMUN.
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 5K52 - OCD C18 H36 O 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 (2D)
Ligand no: 1; Ligand: OCD; Similar ligands found: 24
No: Ligand ECFP6 Tc MDL keys Tc
1 UNA 1 1
2 OCD 1 1
3 8YP 1 1
4 OYA 0.954545 1
5 O8Y 0.666667 0.857143
6 B7M 0.575758 0.75
7 PTL 0.541667 0.714286
8 1EY 0.529412 0.6875
9 TWT 0.5 0.733333
10 R16 0.5 0.733333
11 LFA 0.5 0.733333
12 UND 0.5 0.733333
13 D12 0.5 0.733333
14 TRD 0.5 0.733333
15 D10 0.5 0.733333
16 MYS 0.5 0.733333
17 DD9 0.5 0.733333
18 C14 0.5 0.733333
19 8K6 0.5 0.733333
20 3X1 0.457143 0.65
21 OCT 0.454545 0.733333
22 ELA 0.421053 0.636364
23 OLA 0.421053 0.636364
24 NER 0.421053 0.636364
Similar Ligands (3D)
Ligand no: 1; Ligand: OCD; Similar ligands found: 2
No: Ligand Similarity coefficient
1 STE 0.9061
2 PL3 0.8938
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5K52; Ligand: OCD; 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: 5k52.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5K52; Ligand: OCD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 5k52.bio3) has 23 residues
No: Leader PDB Ligand Sequence Similarity
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