Receptor
PDB id Resolution Class Description Source Keywords
4PYA 1.79 Å NON-ENZYME: OTHER MOAC K51A IN COMPLEX WITH 3',8-CH2GTP ESCHERICHIA COLI K-12 MOAC MOLYBDENUM COFACTOR MOCO TRANSLATION
Ref.: MECHANISM OF PYRANOPTERIN RING FORMATION IN MOLYBDE COFACTOR BIOSYNTHESIS. PROC.NATL.ACAD.SCI.USA V. 112 6347 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:207;
A:203;
A:202;
A:204;
A:205;
A:206;
A:201;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
 submit data
62.068 C2 H6 O2 C(CO)...
2X3 A:208;
 Valid;
 none;
 submit data
523.18 C10 H16 N5 O14 P3 C(C1C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4PYA 1.79 Å NON-ENZYME: OTHER MOAC K51A IN COMPLEX WITH 3',8-CH2GTP ESCHERICHIA COLI K-12 MOAC MOLYBDENUM COFACTOR MOCO TRANSLATION
Ref.: MECHANISM OF PYRANOPTERIN RING FORMATION IN MOLYBDE COFACTOR BIOSYNTHESIS. PROC.NATL.ACAD.SCI.USA V. 112 6347 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 4PYA - 2X3 C10 H16 N5 O14 P3 C(C1C2(C(C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 4PYA - 2X3 C10 H16 N5 O14 P3 C(C1C2(C(C....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 4PYA - 2X3 C10 H16 N5 O14 P3 C(C1C2(C(C....
2 3JQM Kd = 44.4 uM GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 2X3; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 2X3 1 1
2 8GT 0.451923 0.924051
3 8DG 0.422018 0.879518
4 G8D 0.40566 0.924051
Similar Ligands (3D)
Ligand no: 1; Ligand: 2X3; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4PYA; Ligand: 2X3; 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: 4pya.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4PYA; Ligand: 2X3; 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: 4pya.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4PYA; Ligand: 2X3; 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: 4pya.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
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