Receptor
PDB id Resolution Class Description Source Keywords
3HY3 1.8 Å EC: 6.3.3.2 STRUCTURE OF HUMAN MTHFS WITH 10-FORMYLTETRAHYDROFOLATE HOMO SAPIENS ANTIFOLATE CANCER 10-FORMYLTETRAHYDROFOLATE ATP-BINDING BINDING LIGASE MAGNESIUM NUCLEOTIDE-BINDING
Ref.: STRUCTURAL BASIS FOR THE INHIBITION OF HUMAN 5,10-METHENYLTETRAHYDROFOLATE SYNTHETASE BY N10-SUB FOLATE ANALOGUES CANCER RES. V. 69 7294 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
10F A:501;
Valid;
none;
submit data
479.487 C20 H29 N7 O7 c1cc(...
MG A:206;
A:207;
A:208;
A:209;
A:210;
A:211;
A:212;
A:213;
A:214;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
NI A:204;
A:205;
Part of Protein;
Part of Protein;
none;
none;
submit data
58.693 Ni [Ni+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3HY3 1.8 Å EC: 6.3.3.2 STRUCTURE OF HUMAN MTHFS WITH 10-FORMYLTETRAHYDROFOLATE HOMO SAPIENS ANTIFOLATE CANCER 10-FORMYLTETRAHYDROFOLATE ATP-BINDING BINDING LIGASE MAGNESIUM NUCLEOTIDE-BINDING
Ref.: STRUCTURAL BASIS FOR THE INHIBITION OF HUMAN 5,10-METHENYLTETRAHYDROFOLATE SYNTHETASE BY N10-SUB FOLATE ANALOGUES CANCER RES. V. 69 7294 2009
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3HY3 - 10F C20 H29 N7 O7 c1cc(ccc1C....
2 3HY6 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3HY3 - 10F C20 H29 N7 O7 c1cc(ccc1C....
2 3HY6 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3HY3 - 10F C20 H29 N7 O7 c1cc(ccc1C....
2 3HY6 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 10F; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 10F 1 1
2 1YA 0.504505 0.893939
3 6DD 0.408696 0.887097
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3HY3; Ligand: 10F; 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: 3hy3.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3HY3; Ligand: 10F; 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: 3hy3.bio2) has 25 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3HY3; Ligand: 10F; 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: 3hy3.bio2) has 25 residues
No: Leader PDB Ligand Sequence Similarity
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