Receptor
PDB id Resolution Class Description Source Keywords
3A4X 1.76 Å EC: 3.2.1.14 CRYSTAL STRUCTURES OF CATALYTIC SITE MUTANTS OF ACTIVE DOMAI THERMOSTABLE CHITINASE FROM PYROCOCCUS FURIOSUS COMPLEXED WO LIGOSACCHARIDES PYROCOCCUS FURIOSUS ARCHAEA CHITINASE GLYCOSYL HYDROLASE HYDROLASE
Ref.: KINETIC AND CRYSTALLOGRAPHIC ANALYSES OF THE CATALY DOMAIN OF CHITINASE FROM PYROCOCCUS FURIOSUS- THE R CONSERVED RESIDUES IN THE ACTIVE SITE FEBS J. V. 277 2683 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:720;
A:721;
B:5;
B:720;
B:721;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
MG A:718;
B:718;
Invalid;
Invalid;
none;
none;
submit data
24.305 Mg [Mg+2...
SO4 A:719;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
NDG NAG NAG NAG D:1;
C:1;
Valid;
Valid;
none;
none;
submit data
842.887 n/a O(C1C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3A4X 1.76 Å EC: 3.2.1.14 CRYSTAL STRUCTURES OF CATALYTIC SITE MUTANTS OF ACTIVE DOMAI THERMOSTABLE CHITINASE FROM PYROCOCCUS FURIOSUS COMPLEXED WO LIGOSACCHARIDES PYROCOCCUS FURIOSUS ARCHAEA CHITINASE GLYCOSYL HYDROLASE HYDROLASE
Ref.: KINETIC AND CRYSTALLOGRAPHIC ANALYSES OF THE CATALY DOMAIN OF CHITINASE FROM PYROCOCCUS FURIOSUS- THE R CONSERVED RESIDUES IN THE ACTIVE SITE FEBS J. V. 277 2683 2010
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 22 families.
1 3A4W - NAG NAG NAG NAG NAG n/a n/a
2 3A4X - NDG NAG NAG NAG n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 20 families.
1 3A4W - NAG NAG NAG NAG NAG n/a n/a
2 3A4X - NDG NAG NAG NAG n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 3A4W - NAG NAG NAG NAG NAG n/a n/a
2 3A4X - NDG NAG NAG NAG n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: NDG NAG NAG NAG; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 NDG NAG NAG NAG 1 1
2 NDG GCD 0.487805 0.867925
3 GAL FUC NGA 0.487805 0.96
Similar Ligands (3D)
Ligand no: 1; Ligand: NDG NAG NAG NAG; Similar ligands found: 2
No: Ligand Similarity coefficient
1 NAG NAG NAG NAG 0.9515
2 NAG NOJ NAG NAG 0.9340
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3A4X; Ligand: NDG NAG NAG NAG; 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: 3a4x.bio2) has 28 residues
No: Leader PDB Ligand Sequence Similarity
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