Receptor
PDB id Resolution Class Description Source Keywords
1G2O 1.75 Å EC: 2.4.2.1 CRYSTAL STRUCTURE OF PURINE NUCLEOSIDE PHOSPHORYLASE FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH A TRANSITION- S TATE INHIBITOR MYCOBACTERIUM TUBERCULOSIS TRIMER TRANSITION-STATE COMPLEX TRANSFERASE
Ref.: STRUCTURES OF PURINE NUCLEOSIDE PHOSPHORYLASE FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEXES WITH IMMUCILLIN-H AND ITS PIECES. BIOCHEMISTRY V. 40 8204 2001
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
IMH A:351;
B:352;
C:353;
Valid;
Valid;
Valid;
none;
none;
none;
Ki = 28 pM
266.253 C11 H14 N4 O4 c1c(c...
PO4 A:301;
B:302;
C:303;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
94.971 O4 P [O-]P...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1G2O 1.75 Å EC: 2.4.2.1 CRYSTAL STRUCTURE OF PURINE NUCLEOSIDE PHOSPHORYLASE FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH A TRANSITION- S TATE INHIBITOR MYCOBACTERIUM TUBERCULOSIS TRIMER TRANSITION-STATE COMPLEX TRANSFERASE
Ref.: STRUCTURES OF PURINE NUCLEOSIDE PHOSPHORYLASE FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEXES WITH IMMUCILLIN-H AND ITS PIECES. BIOCHEMISTRY V. 40 8204 2001
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 1I80 Kd = 0.39 uM 9HX C6 H5 N3 O c1c[nH]c2c....
2 3IOM - GNG C10 H13 N5 O4 c1nc2c(n1[....
3 1G2O Ki = 28 pM IMH C11 H14 N4 O4 c1c(c2c([n....
4 1N3I Kd = 1.3 nM DIH C12 H17 N4 O3 c1c(c2c([n....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 1I80 Kd = 0.39 uM 9HX C6 H5 N3 O c1c[nH]c2c....
2 3IOM - GNG C10 H13 N5 O4 c1nc2c(n1[....
3 1G2O Ki = 28 pM IMH C11 H14 N4 O4 c1c(c2c([n....
4 1N3I Kd = 1.3 nM DIH C12 H17 N4 O3 c1c(c2c([n....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1I80 Kd = 0.39 uM 9HX C6 H5 N3 O c1c[nH]c2c....
2 3IOM - GNG C10 H13 N5 O4 c1nc2c(n1[....
3 1G2O Ki = 28 pM IMH C11 H14 N4 O4 c1c(c2c([n....
4 1N3I Kd = 1.3 nM DIH C12 H17 N4 O3 c1c(c2c([n....
5 1C3X - 8IG C5 H4 I N5 O c12c([nH]c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: IMH; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 IMH 1 1
2 UA2 0.645161 0.857143
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1G2O; Ligand: IMH; 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: 1g2o.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1G2O; Ligand: IMH; 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: 1g2o.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1G2O; Ligand: IMH; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1g2o.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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