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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;
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 with APoc: 56
This union binding pocket(no: 1) in the query (biounit: 4zxf.bio3) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 5LP1 71H 1.76471
2 3FC4 EDO 2.05882
3 5A1S FLC 2.05882
4 4G9E C4L 2.15054
5 2G2Y MLI 2.27273
6 5XH2 NPO 2.29008
7 3BY9 SIN 2.30769
8 1WTC ACP 2.78638
9 5HC0 NPO 2.94118
10 6FBA D48 2.94118
11 4OJP MAL 2.94118
12 4XZ6 TMO 2.94985
13 1ZGS XMM 3.23529
14 2ZL4 ALA ALA ALA ALA 3.57143
15 1GT6 OLA 3.71747
16 1LBT T80 3.82353
17 5CXX FER 4
18 1Y7I SAL 4.10448
19 1RJW ETF 4.12979
20 5DX3 EST 4.21456
21 4MG9 27K 4.31373
22 4MG8 27J 4.31373
23 4TUZ 36J 4.31373
24 5AAV GW5 4.36508
25 2QE4 JJ3 4.43548
26 6IKG MET ALA ALA 4.70588
27 4OB6 S2T 5
28 5N17 8FK 5.07246
29 2NV2 GLN 5.29412
30 2ALG DAO 5.43478
31 2PX6 DH9 5.6962
32 5WUU 7UU 5.7554
33 2ZYI STE 5.88235
34 5AOA PPI 6.29371
35 2WKW W22 6.70732
36 1A8U BEZ 7.22022
37 1UWC FER 7.27969
38 1WHT BZS 8.20312
39 1WM1 PTB 8.83281
40 4JUI EGR 9.11765
41 4MIB 28M 9.11765
42 5JIB OIA 9.41177
43 4MYD 164 9.92064
44 2OCI TYC 10.2362
45 2HU5 GLY PHE 10.5882
46 1JT2 FER 11.194
47 5VRH PLM 11.3027
48 5ZRR 9J3 14.717
49 3GUZ PAF 14.7727
50 4UHF BUA 15.6028
51 3HSS MLA 19.1176
52 2WTN FER 19.9203
53 1XRO LEU 23.8908
54 1A8S PPI 33.6996
55 4FBL SPD 33.8078
56 3QM1 ZYC 41.1321
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