Receptor
PDB id Resolution Class Description Source Keywords
4ZXF 2.5 Å EC: 3.1.1.23 CRYSTAL STRUCTURE OF A SOLUBLE VARIANT OF MONOGLYCERIDE LIPA SACCHAROMYCES CEREVISIAE IN COMPLEX WITH A SUBSTRATE ANALOG SACCHAROMYCES CEREVISIAE (STRAIN ATCC S288C) HYDROLASE MONOGLYCERIDE LIPASE MONOACYLGLYCEROL LIPASE COSUBSTRATE ANALOG
Ref.: CRYSTAL STRUCTURE OF THE SACCHAROMYCES CEREVISIAE MONOGLYCERIDE LIPASE YJU3P. BIOCHIM.BIOPHYS.ACTA V.1861 462 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 A:401;
B:401;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
4S7 C:500;
Valid;
Atoms found LESS than expected: % Diff = 0.036;
submit data
418.574 C21 H45 N3 O3 P CCCCC...
NO3 D:401;
D:402;
Invalid;
Invalid;
none;
none;
submit data
62.005 N O3 [N+](...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4ZXF 2.5 Å EC: 3.1.1.23 CRYSTAL STRUCTURE OF A SOLUBLE VARIANT OF MONOGLYCERIDE LIPA SACCHAROMYCES CEREVISIAE IN COMPLEX WITH A SUBSTRATE ANALOG SACCHAROMYCES CEREVISIAE (STRAIN ATCC S288C) HYDROLASE MONOGLYCERIDE LIPASE MONOACYLGLYCEROL LIPASE COSUBSTRATE ANALOG
Ref.: CRYSTAL STRUCTURE OF THE SACCHAROMYCES CEREVISIAE MONOGLYCERIDE LIPASE YJU3P. BIOCHIM.BIOPHYS.ACTA V.1861 462 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4ZXF - 4S7 C21 H45 N3 O3 P CCCCCCCCCC....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4ZXF - 4S7 C21 H45 N3 O3 P CCCCCCCCCC....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4ZXF - 4S7 C21 H45 N3 O3 P CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 4S7; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 4S7 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4ZXF; Ligand: 4S7; Similar sites found: 16
This union binding pocket(no: 1) in the query (biounit: 4zxf.bio3) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3FC4 EDO 0.02371 0.40873 2.05882
2 4G9E C4L 0.002832 0.40093 2.15054
3 5BYZ 4WE 0.009058 0.40751 3.23529
4 1GT6 OLA 0.0002282 0.43082 3.71747
5 1LBT T80 0.003414 0.41195 3.82353
6 2QE4 JJ3 0.007083 0.43141 4.43548
7 2ZYI STE 0.001396 0.43223 5.88235
8 5AOA PPI 0.004752 0.43615 6.29371
9 2WKW W22 0.0004379 0.4259 6.70732
10 1WM1 PTB 0.001419 0.40728 8.83281
11 4MIB 28M 0.04934 0.40056 9.11765
12 4MYD 164 0.001964 0.40679 9.92064
13 4UHF BUA 0.00126 0.41502 15.6028
14 1XRO LEU 0.01194 0.40687 23.8908
15 1A8S PPI 0.00004731 0.40094 33.6996
16 3QM1 ZYC 0.001152 0.4024 41.1321
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