Receptor
PDB id Resolution Class Description Source Keywords
1KCD 1.15 Å EC: 3.2.1.15 ENDOPOLYGALACTURONASE I FROM STEREUM PURPUREUM COMPLEXED WIT GALACTURONATE AT 1.15 A RESOLUTION. CHONDROSTEREUM PURPUREUM BETA HELICAL STRUCTURE GLYCOSIDE HYDROLASE SILVER-LEAF INDSUBSTANCE HYDROLASE
Ref.: ACTIVE-SITE ARCHITECTURE OF ENDOPOLYGALACTURONASE I STEREUM PURPUREUM REVEALED BY CRYSTAL STRUCTURES IN AND LIGAND-BOUND FORMS AT ATOMIC RESOLUTION. BIOCHEMISTRY V. 41 6651 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:2003;
Invalid;
none;
submit data
35.453 Cl [Cl-]
GTK A:1001;
Valid;
none;
submit data
194.139 C6 H10 O7 [C@H]...
GTR A:1002;
Valid;
none;
submit data
194.139 C6 H10 O7 [C@@H...
NAG A:2001;
A:2002;
Invalid;
Invalid;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1KCC 1 Å EC: 3.2.1.15 ENDOPOLYGALACTURONASE I FROM STEREUM PURPUREUM COMPLEXED WIT GALACTURONATE AT 1.00 A RESOLUTION. CHONDROSTEREUM PURPUREUM BETA HELICAL STRUCTURE GLYCOSIDE HYDROLASE SILVER-LEAF INDSUBSTANCE HYDROLASE
Ref.: ACTIVE-SITE ARCHITECTURE OF ENDOPOLYGALACTURONASE I STEREUM PURPUREUM REVEALED BY CRYSTAL STRUCTURES IN AND LIGAND-BOUND FORMS AT ATOMIC RESOLUTION. BIOCHEMISTRY V. 41 6651 2002
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1KCC - GTR C6 H10 O7 [C@@H]1([C....
2 1KCD - GTK C6 H10 O7 [C@H]1([C@....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1KCC - GTR C6 H10 O7 [C@@H]1([C....
2 1KCD - GTK C6 H10 O7 [C@H]1([C@....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1KCC - GTR C6 H10 O7 [C@@H]1([C....
2 1KCD - GTK C6 H10 O7 [C@H]1([C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GTK; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 GTK 1 1
2 GZL 0.405405 0.7
Ligand no: 2; Ligand: GTR; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 ADA 1 1
2 BDP 1 1
3 GTR 1 1
4 GCU 1 1
5 AD0 0.458333 0.821429
6 GCW 0.45 0.884615
7 GCV 0.45 0.884615
8 TGU 0.423077 0.821429
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1KCC; Ligand: GTR; Similar sites found: 7
This union binding pocket(no: 1) in the query (biounit: 1kcc.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2RG0 CTT 0.02438 0.40888 1.49254
2 3RWO GDP 0.02781 0.40191 2.7027
3 2DKH FAD 0.03826 0.40438 2.98507
4 3IHG FAD 0.02875 0.40759 4.1791
5 3HJ1 UTP 0.01297 0.40677 4.47761
6 4G87 UD1 0.03728 0.40166 5.67164
7 2UVF AD0 0.0000116 0.54617 21.4925
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