Receptor
PDB id Resolution Class Description Source Keywords
1Y13 2.2 Å EC: 4.2.3.12 STRUCTURAL ANALYSIS OF PLASMODIUM FALCIPARUM 6-PYRUVOYL TETRAHYDROPTERIN SYNTHASE (PTPS) PLASMODIUM FALCIPARUM STRUCTURAL GENOMICS OF PATHOGENIC PROTOZOA CONSORTIUM SGPPSTRUCTURAL GENOMICS PSI PROTEIN STRUCTURE INITIATIVE LYABIOSYNTHETIC PROTEIN
Ref.: STRUCTURAL ANALYSIS OF PLASMODIUM FALCIPARUM 6-PYRU TETRAHYDROPTERIN SYNTHASE (PTPS) TO BE PUBLISHED
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BIO A:175;
B:175;
C:175;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
237.215 C9 H11 N5 O3 C[C@H...
ZN A:174;
B:174;
C:174;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1Y13 2.2 Å EC: 4.2.3.12 STRUCTURAL ANALYSIS OF PLASMODIUM FALCIPARUM 6-PYRUVOYL TETRAHYDROPTERIN SYNTHASE (PTPS) PLASMODIUM FALCIPARUM STRUCTURAL GENOMICS OF PATHOGENIC PROTOZOA CONSORTIUM SGPPSTRUCTURAL GENOMICS PSI PROTEIN STRUCTURE INITIATIVE LYABIOSYNTHETIC PROTEIN
Ref.: STRUCTURAL ANALYSIS OF PLASMODIUM FALCIPARUM 6-PYRU TETRAHYDROPTERIN SYNTHASE (PTPS) TO BE PUBLISHED
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1Y13 - BIO C9 H11 N5 O3 C[C@H]([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 2A0S - BIO C9 H11 N5 O3 C[C@H]([C@....
2 1Y13 - BIO C9 H11 N5 O3 C[C@H]([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 2A0S - BIO C9 H11 N5 O3 C[C@H]([C@....
2 1Y13 - BIO C9 H11 N5 O3 C[C@H]([C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BIO; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 BIO 1 1
2 MPU 0.701754 0.830508
3 NEO 0.701754 0.830508
4 NEU 0.701754 0.830508
5 HHR 0.483333 0.818182
6 HHS 0.47541 0.884615
7 PMM 0.432836 0.707692
8 HH2 0.408451 0.686567
9 PE0 0.403509 0.82
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1Y13; Ligand: BIO; Similar sites found with APoc: 12
This union binding pocket(no: 1) in the query (biounit: 1y13.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 4NTM 2K8 37.1901
2 4NTM 2K8 37.1901
3 4NTM 2K8 37.1901
4 4NTM 2K8 37.1901
5 4NTM 2K8 37.1901
6 4NTM 2K8 37.1901
7 4NTK ZSP 37.1901
8 4NTK ZSP 37.1901
9 4NTK ZSP 37.1901
10 4NTK ZSP 37.1901
11 4NTK ZSP 37.1901
12 4NTK ZSP 37.1901
Pocket No.: 2; Query (leader) PDB : 1Y13; Ligand: BIO; Similar sites found with APoc: 12
This union binding pocket(no: 2) in the query (biounit: 1y13.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 4NTM 2K8 37.1901
2 4NTM 2K8 37.1901
3 4NTM 2K8 37.1901
4 4NTM 2K8 37.1901
5 4NTM 2K8 37.1901
6 4NTM 2K8 37.1901
7 4NTK ZSP 37.1901
8 4NTK ZSP 37.1901
9 4NTK ZSP 37.1901
10 4NTK ZSP 37.1901
11 4NTK ZSP 37.1901
12 4NTK ZSP 37.1901
Pocket No.: 3; Query (leader) PDB : 1Y13; Ligand: BIO; Similar sites found with APoc: 12
This union binding pocket(no: 3) in the query (biounit: 1y13.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 4NTM 2K8 37.1901
2 4NTM 2K8 37.1901
3 4NTM 2K8 37.1901
4 4NTM 2K8 37.1901
5 4NTM 2K8 37.1901
6 4NTM 2K8 37.1901
7 4NTK ZSP 37.1901
8 4NTK ZSP 37.1901
9 4NTK ZSP 37.1901
10 4NTK ZSP 37.1901
11 4NTK ZSP 37.1901
12 4NTK ZSP 37.1901
Pocket No.: 4; Query (leader) PDB : 1Y13; Ligand: BIO; Similar sites found with APoc: 12
This union binding pocket(no: 4) in the query (biounit: 1y13.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 4NTM 2K8 37.1901
2 4NTM 2K8 37.1901
3 4NTM 2K8 37.1901
4 4NTM 2K8 37.1901
5 4NTM 2K8 37.1901
6 4NTM 2K8 37.1901
7 4NTK ZSP 37.1901
8 4NTK ZSP 37.1901
9 4NTK ZSP 37.1901
10 4NTK ZSP 37.1901
11 4NTK ZSP 37.1901
12 4NTK ZSP 37.1901
Pocket No.: 5; Query (leader) PDB : 1Y13; Ligand: BIO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 1y13.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1Y13; Ligand: BIO; Similar sites found with APoc: 7
This union binding pocket(no: 6) in the query (biounit: 1y13.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 4NTM 2K8 37.1901
2 4NTM 2K8 37.1901
3 4NTM 2K8 37.1901
4 4NTM 2K8 37.1901
5 4NTK ZSP 37.1901
6 4NTK ZSP 37.1901
7 4NTK ZSP 37.1901
Pocket No.: 7; Query (leader) PDB : 1Y13; Ligand: BIO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 1y13.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 1Y13; Ligand: BIO; Similar sites found with APoc: 12
This union binding pocket(no: 8) in the query (biounit: 1y13.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 4NTM 2K8 37.1901
2 4NTM 2K8 37.1901
3 4NTM 2K8 37.1901
4 4NTM 2K8 37.1901
5 4NTM 2K8 37.1901
6 4NTK ZSP 37.1901
7 4NTM 2K8 37.1901
8 4NTK ZSP 37.1901
9 4NTK ZSP 37.1901
10 4NTK ZSP 37.1901
11 4NTK ZSP 37.1901
12 4NTK ZSP 37.1901
Pocket No.: 9; Query (leader) PDB : 1Y13; Ligand: BIO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 1y13.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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