Receptor
PDB id Resolution Class Description Source Keywords
4NKU 1.94 Å EC: 2.7.7.- STRUCTURE OF CID1 IN COMPLEX WITH ITS SHORT PRODUCT APU SCHIZOSACCHAROMYCES POMBE POLY(U) POLYMERASE NUCLEOTIDYL TRANFER DOMAIN PAP-ASSOCIATDOMAIN UTP BINDING TRANSFERASE-RNA COMPLEX
Ref.: A CRITICAL SWITCH IN THE ENZYMATIC PROPERTIES OF TH PROTEIN DECIPHERED FROM ITS PRODUCT-BOUND CRYSTAL S NUCLEIC ACIDS RES. V. 42 3372 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
A U D:58;
H:58;
Valid;
Valid;
none;
none;
submit data
n/a n/a
BR D:101;
B:402;
A:403;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
79.904 Br [Br-]
MG A:401;
A:402;
B:401;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4NKT 1.9 Å EC: 2.7.7.- STRUCTURE OF CID1 IN COMPLEX WITH THE UTP ANALOG UMPNPP SCHIZOSACCHAROMYCES POMBE POLY(U) POLYMERASE NUCLEOTIDYL TRANFER DOMAIN PAP-ASSOCIATDOMAIN UTP BINDING TRANSFERASE
Ref.: A CRITICAL SWITCH IN THE ENZYMATIC PROPERTIES OF TH PROTEIN DECIPHERED FROM ITS PRODUCT-BOUND CRYSTAL S NUCLEIC ACIDS RES. V. 42 3372 2014
Members (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 23 families.
1 4FHW - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
2 4NKU - A U n/a n/a
3 4NKT - 2KH C9 H16 N3 O14 P3 C1=CN(C(=O....
4 4FH5 - UTP C9 H15 N2 O15 P3 C1=CN(C(=O....
5 4FHV - CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
6 4EP7 - UTP C9 H15 N2 O15 P3 C1=CN(C(=O....
7 4FHP - UTP C9 H15 N2 O15 P3 C1=CN(C(=O....
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 21 families.
1 4FHW - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
2 4NKU - A U n/a n/a
3 4NKT - 2KH C9 H16 N3 O14 P3 C1=CN(C(=O....
4 4FH5 - UTP C9 H15 N2 O15 P3 C1=CN(C(=O....
5 4FHV - CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
6 4EP7 - UTP C9 H15 N2 O15 P3 C1=CN(C(=O....
7 4FHP - UTP C9 H15 N2 O15 P3 C1=CN(C(=O....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 20 families.
1 4FHW - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
2 4NKU - A U n/a n/a
3 4NKT - 2KH C9 H16 N3 O14 P3 C1=CN(C(=O....
4 4FH5 - UTP C9 H15 N2 O15 P3 C1=CN(C(=O....
5 4FHV - CTP C9 H16 N3 O14 P3 C1=CN(C(=O....
6 4EP7 - UTP C9 H15 N2 O15 P3 C1=CN(C(=O....
7 4FHP - UTP C9 H15 N2 O15 P3 C1=CN(C(=O....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: A U ; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: A U ; Similar ligands found: 3
No: Ligand Similarity coefficient
1 A U 1.0000
2 UPU 0.9350
3 G C 0.9328
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4NKT; Ligand: 2KH; Similar sites found with APoc: 8
This union binding pocket(no: 1) in the query (biounit: 4nkt.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 3HIY UTP 19.6481
2 3HIY UTP 19.6481
3 3HJ1 UTP 38.1232
4 6YWN 2TM 38.4164
5 2Q0D ATP 38.8102
6 5W0N 2KH 49.2669
7 5W0N 2KH 49.2669
8 5W0N 2KH 49.2669
Pocket No.: 2; Query (leader) PDB : 4NKT; Ligand: 2KH; Similar sites found with APoc: 5
This union binding pocket(no: 2) in the query (biounit: 4nkt.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 3HJ1 UTP 38.1232
2 2Q0D ATP 38.8102
3 5W0N 2KH 49.2669
4 5W0N 2KH 49.2669
5 5W0N 2KH 49.2669
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