Receptor
PDB id Resolution Class Description Source Keywords
1DQN 1.75 Å EC: 2.4.2.8 CRYSTAL STRUCTURE OF GIARDIA GUANINE PHOSPHORIBOSYLTRANSFERASE COMPLEXED WITH A TRANSITION S TATE ANALOGUE GIARDIA INTESTINALIS PROTEIN-INHIBITOR COMPLEX MG IONS PYROPHOSPHATE TRANSITION STATE ANALOGUE TRANSFERASE
Ref.: CRYSTAL STRUCTURES OF GIARDIA LAMBLIA GUANINE PHOSPHORIBOSYLTRANSFERASE AT 1.75 A(,). BIOCHEMISTRY V. 39 6781 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
IMU A:300;
B:301;
Valid;
Valid;
none;
none;
Ki = 10 nM
361.248 C11 H16 N5 O7 P c1c(c...
IPA B:500;
Invalid;
none;
submit data
60.095 C3 H8 O CC(C)...
MG A:450;
A:451;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
POP A:400;
B:401;
Invalid;
Invalid;
none;
none;
submit data
175.959 H2 O7 P2 O[P@@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1DQN 1.75 Å EC: 2.4.2.8 CRYSTAL STRUCTURE OF GIARDIA GUANINE PHOSPHORIBOSYLTRANSFERASE COMPLEXED WITH A TRANSITION S TATE ANALOGUE GIARDIA INTESTINALIS PROTEIN-INHIBITOR COMPLEX MG IONS PYROPHOSPHATE TRANSITION STATE ANALOGUE TRANSFERASE
Ref.: CRYSTAL STRUCTURES OF GIARDIA LAMBLIA GUANINE PHOSPHORIBOSYLTRANSFERASE AT 1.75 A(,). BIOCHEMISTRY V. 39 6781 2000
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 12 families.
1 1DQP - IMG C11 H15 N5 O4 c1c(c2c([n....
2 1DQN Ki = 10 nM IMU C11 H16 N5 O7 P c1c(c2c([n....
70% 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 1DQP - IMG C11 H15 N5 O4 c1c(c2c([n....
2 1DQN Ki = 10 nM IMU C11 H16 N5 O7 P c1c(c2c([n....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1DQP - IMG C11 H15 N5 O4 c1c(c2c([n....
2 1DQN Ki = 10 nM IMU C11 H16 N5 O7 P c1c(c2c([n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: IMU; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 IMU 1 1
2 IMG 0.685714 0.857143
3 IRP 0.607595 0.956522
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1DQN; Ligand: IMU; 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: 1dqn.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1DQN; Ligand: IMU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1dqn.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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