Receptor
PDB id Resolution Class Description Source Keywords
4CU7 2.2 Å EC: 3.2.1.23 UNRAVELLING THE MULTIPLE FUNCTIONS OF THE ARCHITECTURALLY INTRICATE STREPTOCOCCUS PNEUMONIAE BETA-GALACTOSIDASE, BGAA STREPTOCOCCUS PNEUMONIAE TIGR4 HYDROLASE
Ref.: UNRAVELLING THE MULTIPLE FUNCTIONS OF THE ARCHITECT INTRICATE STREPTOCOCCUS PNEUMONIAE BETA-GALACTOSIDA PLOS PATHOG. V. 10 04364 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:2008;
A:2013;
A:2006;
A:1994;
A:2002;
A:2007;
A:2015;
A:1995;
A:1997;
A:2005;
A:2009;
A:2017;
A:2000;
A:2004;
A:2001;
A:1996;
A:2014;
A:1999;
A:2003;
A:1998;
A:2016;
A:2012;
A:2018;
A:2010;
A:2011;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
SO4 A:1988;
A:1992;
A:1987;
A:1989;
A:1993;
A:1986;
A:1991;
A:1990;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
GIF A:1985;
Valid;
none;
Kd = 26 nM
147.172 C6 H13 N O3 C1[C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4CU7 2.2 Å EC: 3.2.1.23 UNRAVELLING THE MULTIPLE FUNCTIONS OF THE ARCHITECTURALLY INTRICATE STREPTOCOCCUS PNEUMONIAE BETA-GALACTOSIDASE, BGAA STREPTOCOCCUS PNEUMONIAE TIGR4 HYDROLASE
Ref.: UNRAVELLING THE MULTIPLE FUNCTIONS OF THE ARCHITECT INTRICATE STREPTOCOCCUS PNEUMONIAE BETA-GALACTOSIDA PLOS PATHOG. V. 10 04364 2014
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 4CU8 Ki = 33.9 uM DGJ C6 H13 N O4 C1[C@@H]([....
2 4CU7 Kd = 26 nM GIF C6 H13 N O3 C1[C@@H]([....
3 4CUC - GAL NAG n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 4CU8 Ki = 33.9 uM DGJ C6 H13 N O4 C1[C@@H]([....
2 4CU7 Kd = 26 nM GIF C6 H13 N O3 C1[C@@H]([....
3 4CUC - GAL NAG n/a n/a
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 4CU8 Ki = 33.9 uM DGJ C6 H13 N O4 C1[C@@H]([....
2 4CU7 Kd = 26 nM GIF C6 H13 N O3 C1[C@@H]([....
3 4CUC - GAL NAG n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GIF; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 GIF 1 1
2 IFM 1 1
3 3RK 0.464286 0.815789
4 7K2 0.403846 0.837209
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4CU7; Ligand: GIF; 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: 4cu7.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback