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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 NEO 0.701754 0.830508
3 NEU 0.701754 0.830508
4 MPU 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: 36
This union binding pocket(no: 1) in the query (biounit: 1y13.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 3BP1 GUN 1.65746
2 5ETR 5RW 1.86335
3 5ETR APC 1.86335
4 4JSR 1NQ 2.20994
5 1A8R GTP 2.76243
6 4UXH T5A 2.76243
7 4S1B 2BA 2.76243
8 3WGT QSC 3.31492
9 2RGO FAD 3.31492
10 3WLV AZA 3.31492
11 3QWB NDP 3.8674
12 3OIX FMN 4.41989
13 4UOX PLP PUT 4.97238
14 1VAY AZA 4.97238
15 5GZZ GSH 6.07735
16 3ZNN FAD 6.07735
17 3ZNN 4WL 6.07735
18 1SQL GUN 6.16438
19 5UQD AKG 6.62983
20 1EP2 ORO 6.62983
21 4WZH FMN 7.73481
22 4XYB NDP 7.73481
23 5XFV FMN 8.28729
24 3MJY IJZ 8.28729
25 3MJY FMN 8.28729
26 5YLF BGC 8.28729
27 2AJ4 ANP 8.28729
28 1NBU PH2 8.40336
29 3C3N FMN 8.83978
30 2YQS UD1 9.39227
31 1WUR 8DG 9.94475
32 4FGC PQ0 10.303
33 3QF7 ANP 16
34 1B66 BIO 29.2857
35 4NTM 2K8 37.1901
36 4NTK ZSP 37.1901
Pocket No.: 2; Query (leader) PDB : 1Y13; Ligand: BIO; Similar sites found with APoc: 11
This union binding pocket(no: 2) in the query (biounit: 1y13.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 1LNX URI None
2 4K55 H6P 3.22581
3 4BUZ OCZ 3.31492
4 4BUZ NAD 3.31492
5 4BUZ OAD 3.31492
6 1YC5 NCA 3.31492
7 1EP2 FMN 6.62983
8 4YRD 3IT 10.4972
9 4GUS FAD 11.0497
10 3HRD NIO 13.8122
11 4YSX MLI 16.0221
Pocket No.: 3; Query (leader) PDB : 1Y13; Ligand: BIO; Similar sites found with APoc: 6
This union binding pocket(no: 3) in the query (biounit: 1y13.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 1ZOS MTM None
2 1H74 ADP 1.65746
3 1UUO FMN 6.07735
4 1UUO ORO 6.07735
5 3VPB ADP 7.73481
6 2AQX ATP 22.6519
Pocket No.: 4; 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: 4) in the query (biounit: 1y13.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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: 1
This union binding pocket(no: 6) in the query (biounit: 1y13.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 1W6O LAT None
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: 3
This union binding pocket(no: 8) in the query (biounit: 1y13.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 1DY4 SNP 4.97238
2 1OVD FMN 4.97238
3 1OVD ORO 4.97238
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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