Receptor
PDB id Resolution Class Description Source Keywords
5CSD 1.45 Å NON-ENZYME: OTHER LIGAND BINDING DOMAIN 2 OF PENICILLIUM MARNEFFEI MP1 PROTEIN COMPLEX WITH ARACHIDONIC ACIDS TALAROMYCES MARNEFFEI PM1 ARACHIDONIC ACID LIGAND BINDING DOMAIN LIPID BINDING PROTE
Ref.: TALAROMYCES MARNEFFEI MP1P IS A VIRULENCE FACTOR TH AND SEQUESTERS A KEY PROINFLAMMATORY LIPID TO DAMPE INNATE IMMUNE RESPONSE CELL CHEM BIOL V. 24 182 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACD D:201;
B:202;
A:201;
B:201;
A:202;
C:201;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
Kd = 2.3 uM
304.467 C20 H32 O2 CCCCC...
GOL D:200;
C:200;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5CSD 1.45 Å NON-ENZYME: OTHER LIGAND BINDING DOMAIN 2 OF PENICILLIUM MARNEFFEI MP1 PROTEIN COMPLEX WITH ARACHIDONIC ACIDS TALAROMYCES MARNEFFEI PM1 ARACHIDONIC ACID LIGAND BINDING DOMAIN LIPID BINDING PROTE
Ref.: TALAROMYCES MARNEFFEI MP1P IS A VIRULENCE FACTOR TH AND SEQUESTERS A KEY PROINFLAMMATORY LIPID TO DAMPE INNATE IMMUNE RESPONSE CELL CHEM BIOL V. 24 182 2017
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1579 families.
1 5CSD Kd = 2.3 uM ACD C20 H32 O2 CCCCCC=C/C....
2 5FB7 Kd = 2.3 uM ACD C20 H32 O2 CCCCCC=C/C....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1312 families.
1 5CSD Kd = 2.3 uM ACD C20 H32 O2 CCCCCC=C/C....
2 5FB7 Kd = 2.3 uM ACD C20 H32 O2 CCCCCC=C/C....
3 3L1N Kd = 6.34 uM PLM C16 H32 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 1130 families.
1 5CSD Kd = 2.3 uM ACD C20 H32 O2 CCCCCC=C/C....
2 5FB7 Kd = 2.3 uM ACD C20 H32 O2 CCCCCC=C/C....
3 3L1N Kd = 6.34 uM PLM C16 H32 O2 CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ACD; Similar ligands found: 21
No: Ligand ECFP6 Tc MDL keys Tc
1 ACD 1 1
2 EPA 0.725 0.869565
3 EIC 0.714286 1
4 LM8 0.68 0.958333
5 OCR 0.584906 0.884615
6 LNL 0.574468 0.913043
7 1AG 0.54717 0.647059
8 EAH 0.491525 0.884615
9 OLA 0.488889 0.956522
10 VCA 0.488889 0.956522
11 NER 0.488889 0.956522
12 PAM 0.488889 0.956522
13 ELA 0.488889 0.956522
14 MYZ 0.466667 0.913043
15 HXA 0.466667 0.782609
16 DJ3 0.460317 0.741935
17 ODD 0.458333 1
18 PTG 0.411765 0.69697
19 6NA 0.410256 0.826087
20 LEA 0.405405 0.73913
21 SHV 0.4 0.869565
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5CSD; Ligand: ACD; 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: 5csd.bio4) has 36 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5CSD; Ligand: ACD; 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: 5csd.bio1) has 39 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5CSD; Ligand: ACD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 5csd.bio1) has 37 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5CSD; Ligand: ACD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 5csd.bio2) has 39 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 5CSD; Ligand: ACD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 5csd.bio2) has 38 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 5CSD; Ligand: ACD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 5csd.bio3) has 37 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback