Receptor
PDB id Resolution Class Description Source Keywords
2ZM9 1.5 Å EC: 3.5.1.46 STRUCTURE OF 6-AMINOHEXANOATE-DIMER HYDROLASE, A61V/S112A/A124V/R187S/F264C/G291R/G338A/D370Y MUTANT (HYB-W ITH SUBSTRATE FLAVOBACTERIUM SP. ALPHA-BETA HYDROLASE NYLON DEGRADATION
Ref.: TWO ALTERNATIVE MODES FOR OPTIMIZING NYLON-6 BYPROD HYDROLYTIC ACTIVITY FROM A CARBOXYLESTERASE WITH A BETA-LACTAMASE FOLD: X-RAY CRYSTALLOGRAPHIC ANALYSI DIRECTLY EVOLVED 6-AMINOHEXANOATE-DIMER HYDROLASE. PROTEIN SCI. V. 18 1662 2
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACA ACA A:501;
Valid;
none;
submit data
226.32 n/a O=C1N...
GOL A:505;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
MES A:503;
A:504;
Invalid;
Invalid;
none;
none;
submit data
195.237 C6 H13 N O4 S C1COC...
SO4 A:506;
A:507;
A:508;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2DCF 1.4 Å EC: 3.5.1.46 CRYSTAL STRUCTURE OF 6-AMINOHEXANOATE-DIMER HYDROLASE S112A/G181D/H266N MUTANT WITH SUBSTRATE FLAVOBACTERIUM SP. HYDROLASE
Ref.: NYLON-OLIGOMER DEGRADING ENZYME/SUBSTRATE COMPLEX: MECHANISM OF 6-AMINOHEXANOATE-DIMER HYDROLASE J.MOL.BIOL. V. 370 142 2007
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2ZM7 - ACA ACA n/a n/a
2 2ZMA - ACA ACA n/a n/a
3 2ZM8 - ACA ACA n/a n/a
4 2DCF - ACA ACA n/a n/a
5 2ZM9 - ACA ACA n/a n/a
70% 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 2ZM7 - ACA ACA n/a n/a
2 2ZMA - ACA ACA n/a n/a
3 2ZM8 - ACA ACA n/a n/a
4 2DCF - ACA ACA n/a n/a
5 2ZM9 - ACA ACA n/a n/a
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 2ZM7 - ACA ACA n/a n/a
2 2ZMA - ACA ACA n/a n/a
3 2ZM8 - ACA ACA n/a n/a
4 2DCF - ACA ACA n/a n/a
5 2ZM9 - ACA ACA n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ACA ACA; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 ICC 1 0.757576
2 ACA ACA 1 1
3 V1L 0.615385 0.735294
4 BAQ 0.6 0.735294
Similar Ligands (3D)
Ligand no: 1; Ligand: ACA ACA; Similar ligands found: 15
No: Ligand Similarity coefficient
1 SSV 0.9325
2 MYR 0.9228
3 TDA 0.9214
4 BRC 0.9179
5 BMJ 0.9003
6 BDD 0.8933
7 C14 0.8851
8 BNV 0.8744
9 SP5 0.8737
10 SPM 0.8704
11 MM1 0.8671
12 MM2 0.8670
13 PLM 0.8666
14 DAO 0.8627
15 MM5 0.8572
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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