Receptor
PDB id Resolution Class Description Source Keywords
4HK7 2.19 Å EC: 4.1.1.66 CRYSTAL STRUCTURE OF CORDYCEPS MILITARIS IDCASE IN COMPLEX W CORDYCEPS MILITARIS PYRIMIDINE METABOLISM DNA DECARBOXYLATION IDCASE DECARBOXURACIL LYASE
Ref.: CRYSTAL STRUCTURES OF ISOOROTATE DECARBOXYLASES REV NOVEL CATALYTIC MECHANISM OF 5-CARBOXYL-URACIL DECARBOXYLATION AND SHED LIGHT ON THE SEARCH FOR DN DECARBOXYLASE. CELL RES. V. 23 1296 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
URA A:403;
D:403;
C:402;
B:402;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
112.087 C4 H4 N2 O2 C1=CN...
ZN D:401;
B:401;
D:402;
A:401;
C:401;
A:402;
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...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4LAM 2.1 Å EC: 4.1.1.66 CRYSTAL STRUCTURE OF CORDYCEPS MILITARIS IDCASE D323N MUTANT COMPLEX WITH 5-CARBOXYL-URACIL CORDYCEPS MILITARIS PYRIMIDINE METABOLISM IDCASE DECARBOXYLASE URACILDNA DECARBOXYLATION LYASE
Ref.: CRYSTAL STRUCTURES OF ISOOROTATE DECARBOXYLASES REV NOVEL CATALYTIC MECHANISM OF 5-CARBOXYL-URACIL DECARBOXYLATION AND SHED LIGHT ON THE SEARCH FOR DN DECARBOXYLASE. CELL RES. V. 23 1296 2013
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4HK7 - URA C4 H4 N2 O2 C1=CNC(=O)....
2 4LAM - 5CU C5 H4 N2 O4 C1=C(C(=O)....
3 4LAL - 5CU C5 H4 N2 O4 C1=C(C(=O)....
4 4HK6 - 5NU C4 H3 N3 O4 C1=C(C(=O)....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4HK7 - URA C4 H4 N2 O2 C1=CNC(=O)....
2 4LAM - 5CU C5 H4 N2 O4 C1=C(C(=O)....
3 4LAL - 5CU C5 H4 N2 O4 C1=C(C(=O)....
4 4HK6 - 5NU C4 H3 N3 O4 C1=C(C(=O)....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4HK7 - URA C4 H4 N2 O2 C1=CNC(=O)....
2 4LAM - 5CU C5 H4 N2 O4 C1=C(C(=O)....
3 4LAL - 5CU C5 H4 N2 O4 C1=C(C(=O)....
4 4HK6 - 5NU C4 H3 N3 O4 C1=C(C(=O)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: URA; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 URA 1 1
2 TUL 0.5 0.725
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4LAM; Ligand: 5CU; Similar sites found: 7
This union binding pocket(no: 1) in the query (biounit: 4lam.bio1) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3S7O LBV 0.03314 0.40947 1.74927
2 3CZ7 ACO 0.03071 0.40508 2.74725
3 2PJL 047 0.02813 0.40123 4.45344
4 4K3H 1OM 0.02429 0.4029 5.85106
5 3MTW M3R 0.003043 0.44298 9.04255
6 2WM1 13P 0.000005179 0.56422 32.1429
7 2DVX 23A 0.00000533 0.51011 41.2844
Pocket No.: 2; Query (leader) PDB : 4LAM; Ligand: 5CU; 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: 4lam.bio1) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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