Receptor
PDB id Resolution Class Description Source Keywords
4NTM 2.05 Å EC: 4.1.2.50 QUED SOAKED WITH SEPIAPTERIN (SELENOMETHIONINE SUBSTITUTED P ESCHERICHIA COLI T-FOLD 6-PTPS QUEUOSINE BIOSYNTHESIS ENZYME SEPIAPTERIN
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...
2K8 E:202;
F:202;
A:202;
C:202;
B:202;
D:202;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
submit data
211.178 C7 H9 N5 O3 C1[C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4NTM 2.05 Å EC: 4.1.2.50 QUED SOAKED WITH SEPIAPTERIN (SELENOMETHIONINE SUBSTITUTED P ESCHERICHIA COLI T-FOLD 6-PTPS QUEUOSINE BIOSYNTHESIS ENZYME SEPIAPTERIN
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 4NTM - 2K8 C7 H9 N5 O3 C1[C@@H](N....
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 4NTM - 2K8 C7 H9 N5 O3 C1[C@@H](N....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4NTM - 2K8 C7 H9 N5 O3 C1[C@@H](N....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 2K8; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 2K8 1 1
2 44V 0.54717 0.85
3 B62 0.54717 0.85
4 H4B 0.534483 0.903226
5 BHS 0.534483 0.903226
6 ZZZ 0.527273 0.913793
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4NTM; Ligand: 2K8; Similar sites found: 12
This union binding pocket(no: 1) in the query (biounit: 4ntm.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3BP1 GUN 0.0002265 0.49608 1.65289
2 1SQL GUN 0.0003707 0.4848 1.65289
3 4YRD 3IT 0.009999 0.41603 1.65289
4 1YC5 NCA 0.02976 0.40061 4.13223
5 5DY5 5GR 0.0231 0.43253 4.95868
6 4WZH FMN 0.01773 0.40929 4.95868
7 1NBU PH2 0.000222 0.48134 5.04202
8 4FGC PQ0 0.003887 0.43392 5.78512
9 1TMM HHR 0.04042 0.40155 7.43802
10 1GJW GLC 0.01601 0.40299 14.0496
11 2A0S BIO 0.0001279 0.49259 31.405
12 1Y13 BIO 0.00000000005393 0.80137 37.1901
Pocket No.: 2; Query (leader) PDB : 4NTM; Ligand: 2K8; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4ntm.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4NTM; Ligand: 2K8; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 4ntm.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4NTM; Ligand: 2K8; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 4ntm.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 4NTM; Ligand: 2K8; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 4ntm.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 4NTM; Ligand: 2K8; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 4ntm.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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