Receptor
PDB id Resolution Class Description Source Keywords
5ZRR 1.34 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF PET-DEGRADING CUTINASE CUT190 S176A/S22 MUTANT IN MONOETHYL SUCCINATE BOUND STATE SACCHAROMONOSPORA VIRIDIS POLYESTERASE ALPHA/BETA-HYDROLASE FOLD PROTEIN ENGINEERINGTHERMOSTABILITY HYDROLASE
Ref.: STRUCTURAL DYNAMICS OF THE PET-DEGRADING CUTINASE-L ENZYME FROM SACCHAROMONOSPORA VIRIDIS AHK190 IN SUBSTRATE-BOUND STATES ELUCIDATES THE CA2+-DRIVEN C CYCLE. BIOCHEMISTRY V. 57 5289 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ZN A:402;
A:404;
A:403;
A:405;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
GOL A:406;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
SO4 A:407;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
9J3 A:401;
Valid;
none;
submit data
146.141 C6 H10 O4 CCOC(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5ZRR 1.34 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF PET-DEGRADING CUTINASE CUT190 S176A/S22 MUTANT IN MONOETHYL SUCCINATE BOUND STATE SACCHAROMONOSPORA VIRIDIS POLYESTERASE ALPHA/BETA-HYDROLASE FOLD PROTEIN ENGINEERINGTHERMOSTABILITY HYDROLASE
Ref.: STRUCTURAL DYNAMICS OF THE PET-DEGRADING CUTINASE-L ENZYME FROM SACCHAROMONOSPORA VIRIDIS AHK190 IN SUBSTRATE-BOUND STATES ELUCIDATES THE CA2+-DRIVEN C CYCLE. BIOCHEMISTRY V. 57 5289 2018
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 283 families.
1 5ZRR - 9J3 C6 H10 O4 CCOC(=O)CC....
2 5ZRS - 9J6 C8 H14 O4 CCOC(=O)CC....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 235 families.
1 6AID - 9YL C5 H10 O3 CCOC(=O)[C....
2 5ZRR - 9J3 C6 H10 O4 CCOC(=O)CC....
3 5ZRS - 9J6 C8 H14 O4 CCOC(=O)CC....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6AID - 9YL C5 H10 O3 CCOC(=O)[C....
2 5XH2 - NPO C6 H5 N O3 c1cc(ccc1[....
3 5XH3 - 856 C11 H12 O5 COC(=O)c1c....
4 5ZRR - 9J3 C6 H10 O4 CCOC(=O)CC....
5 5ZRS - 9J6 C8 H14 O4 CCOC(=O)CC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 9J3; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 9J3 1 1
2 9J6 0.580645 0.916667
3 SIN 0.416667 0.608696
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5ZRR; Ligand: 9J3; 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: 5zrr.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
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