Receptor
PDB id Resolution Class Description Source Keywords
4YJK 1.68 Å EC: 2.4.2.3 CRYSTAL STRUCTURE OF C212S MUTANT OF SHEWANELLA ONEIDENSIS M URIDINE PHOSPHORYLASE SHEWANELLA ONEIDENSIS (STRAIN MR-1) URACIL S212C MUTANT URIDINE PHOSPHORYLASE TRANSFERASE
Ref.: CONCERTED ACTION OF TWO SUBUNITS OF THE FUNCTIONAL SHEWANELLA ONEIDENSIS MR-1 URIDINE PHOSPHORYLASE DE FROM A COMPARISON OF THE C212S MUTANT AND THE WILD-ENZYME. ACTA CRYSTALLOGR D STRUCT V. 72 203 2016 BIOL
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 B:301;
E:301;
F:302;
A:302;
C:301;
D:302;
D:304;
E:302;
D:303;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
URA F:301;
D:301;
A:301;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
112.087 C4 H4 N2 O2 C1=CN...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4YJK 1.68 Å EC: 2.4.2.3 CRYSTAL STRUCTURE OF C212S MUTANT OF SHEWANELLA ONEIDENSIS M URIDINE PHOSPHORYLASE SHEWANELLA ONEIDENSIS (STRAIN MR-1) URACIL S212C MUTANT URIDINE PHOSPHORYLASE TRANSFERASE
Ref.: CONCERTED ACTION OF TWO SUBUNITS OF THE FUNCTIONAL SHEWANELLA ONEIDENSIS MR-1 URIDINE PHOSPHORYLASE DE FROM A COMPARISON OF THE C212S MUTANT AND THE WILD-ENZYME. ACTA CRYSTALLOGR D STRUCT V. 72 203 2016 BIOL
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 4YJK - URA C4 H4 N2 O2 C1=CNC(=O)....
70% Homology Family (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1U1G - BBB C21 H22 N2 O6 c1ccc(cc1)....
2 1RXC - R1P C5 H11 O8 P C([C@@H]1[....
3 1TGY - R1P C5 H11 O8 P C([C@@H]1[....
4 4E1V - URF C4 H3 F N2 O2 C1=C(C(=O)....
5 1U1E - 182 C13 H14 N2 O4 Se c1ccc(cc1)....
6 3KVV - URF C4 H3 F N2 O2 C1=C(C(=O)....
7 1U1D - 181 C13 H14 N2 O4 S c1ccc(cc1)....
8 1U1C Ki ~ 4300 nM BAU C14 H16 N2 O4 c1ccc(cc1)....
9 3FWP - ANU C9 H10 N2 O5 C1=CN2[C@H....
10 1TGV - 5UD C9 H11 F N2 O6 C1=C(C(=O)....
11 1U1F Ki ~ 680 nM 183 C21 H22 N2 O5 c1ccc(cc1)....
12 4YJK - URA C4 H4 N2 O2 C1=CNC(=O)....
50% Homology Family (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1U1G - BBB C21 H22 N2 O6 c1ccc(cc1)....
2 1RXC - R1P C5 H11 O8 P C([C@@H]1[....
3 1TGY - R1P C5 H11 O8 P C([C@@H]1[....
4 4E1V - URF C4 H3 F N2 O2 C1=C(C(=O)....
5 1U1E - 182 C13 H14 N2 O4 Se c1ccc(cc1)....
6 3KVV - URF C4 H3 F N2 O2 C1=C(C(=O)....
7 1U1D - 181 C13 H14 N2 O4 S c1ccc(cc1)....
8 1U1C Ki ~ 4300 nM BAU C14 H16 N2 O4 c1ccc(cc1)....
9 3FWP - ANU C9 H10 N2 O5 C1=CN2[C@H....
10 1TGV - 5UD C9 H11 F N2 O6 C1=C(C(=O)....
11 1U1F Ki ~ 680 nM 183 C21 H22 N2 O5 c1ccc(cc1)....
12 4YJK - URA C4 H4 N2 O2 C1=CNC(=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 : 4YJK; Ligand: URA; Similar sites found with APoc: 2
This union binding pocket(no: 1) in the query (biounit: 4yjk.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 3KVY URA 33.3333
2 3BJE URA 40.873
Pocket No.: 2; Query (leader) PDB : 4YJK; Ligand: URA; 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: 4yjk.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4YJK; Ligand: URA; 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: 4yjk.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
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