Receptor
PDB id Resolution Class Description Source Keywords
4NTK 1.6 Å EC: 4.1.2.50 QUED FROM E. COLI ESCHERICHIA COLI T-FOLD 6-PTPS QUEUOSINE BIOSYNTHESIS ENZYME SEPIAPTERIN LYASE
Ref.: BIOCHEMICAL AND STRUCTURAL STUDIES OF 6-CARBOXY-5,6,7,8-TETRAHYDROPTERIN SYNTHASE REVEAL MOLECULAR BASIS OF CATALYTIC PROMISCUITY WITHIN THE TUNNEL-FOLD SUPERFAMILY. J.BIOL.CHEM. V. 289 23641 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ZN C:201;
B:201;
D:201;
A:201;
F:201;
E:201;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
ZSP C:202;
F:202;
A:202;
B:202;
E:202;
D:202;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
submit data
237.215 C9 H11 N5 O3 C/C(=...
ACT A:203;
C:203;
D:203;
B:203;
E:203;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4NTK 1.6 Å EC: 4.1.2.50 QUED FROM E. COLI ESCHERICHIA COLI T-FOLD 6-PTPS QUEUOSINE BIOSYNTHESIS ENZYME SEPIAPTERIN LYASE
Ref.: BIOCHEMICAL AND STRUCTURAL STUDIES OF 6-CARBOXY-5,6,7,8-TETRAHYDROPTERIN SYNTHASE REVEAL MOLECULAR BASIS OF CATALYTIC PROMISCUITY WITHIN THE TUNNEL-FOLD SUPERFAMILY. J.BIOL.CHEM. V. 289 23641 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4NTK - ZSP C9 H11 N5 O3 C/C(=C(C1=....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4NTK - ZSP C9 H11 N5 O3 C/C(=C(C1=....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4NTK - ZSP C9 H11 N5 O3 C/C(=C(C1=....
2 1B66 - BIO C9 H11 N5 O3 C[C@H]([C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ZSP; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 ZSP 1 1
2 PH2 0.482143 0.852459
3 44W 0.481481 0.816667
4 HBI 0.45 1
5 78H 0.405405 0.828125
6 2PH 0.4 0.746479
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4NTK; Ligand: ZSP; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 4ntk.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 1Y13 BIO 37.1901
Pocket No.: 2; Query (leader) PDB : 4NTK; Ligand: ZSP; 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: 4ntk.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4NTK; Ligand: ZSP; 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: 4ntk.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4NTK; Ligand: ZSP; 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: 4ntk.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 4NTK; Ligand: ZSP; 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: 4ntk.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 4NTK; Ligand: ZSP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 4ntk.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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