Receptor
PDB id Resolution Class Description Source Keywords
4REL 1.75 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF UDP-GLUCOSE: ANTHOCYANIDIN 3-O- GLUCOSYLTRANSFERASE IN COMPLEX WITH KAEMPFEROL CLITORIA TERNATEA UGT78K6 GT-B FOLD GLUCOSYLTRANSFERASE COMPLEXED WITH KAEMTRANSFERASE
Ref.: STRUCTURAL BASIS FOR ACCEPTOR-SUBSTRATE RECOGNITION UDP-GLUCOSE: ANTHOCYANIDIN 3-O-GLUCOSYLTRANSFERASE CLITORIA TERNATEA PROTEIN SCI. V. 24 395 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
KMP A:1001;
Valid;
none;
submit data
286.236 C15 H10 O6 c1cc(...
GOL A:1002;
A:1004;
A:1003;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
ACT A:1005;
A:1006;
Invalid;
Invalid;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4REL 1.75 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF UDP-GLUCOSE: ANTHOCYANIDIN 3-O- GLUCOSYLTRANSFERASE IN COMPLEX WITH KAEMPFEROL CLITORIA TERNATEA UGT78K6 GT-B FOLD GLUCOSYLTRANSFERASE COMPLEXED WITH KAEMTRANSFERASE
Ref.: STRUCTURAL BASIS FOR ACCEPTOR-SUBSTRATE RECOGNITION UDP-GLUCOSE: ANTHOCYANIDIN 3-O-GLUCOSYLTRANSFERASE CLITORIA TERNATEA PROTEIN SCI. V. 24 395 2015
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1579 families.
1 4REL - KMP C15 H10 O6 c1cc(ccc1C....
2 4WHM - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1312 families.
1 4REL - KMP C15 H10 O6 c1cc(ccc1C....
2 4WHM - UDP C9 H14 N2 O12 P2 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 1 families.
1 4REL - KMP C15 H10 O6 c1cc(ccc1C....
2 4WHM - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
3 3HBF - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
4 3HBJ - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
5 2C1X - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
6 2C9Z - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
7 2C1Z - U2F C15 H23 F N2 O16 P2 C1=CN(C(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: KMP; Similar ligands found: 11
No: Ligand ECFP6 Tc MDL keys Tc
1 KMP 1 1
2 QUE 0.678571 0.967742
3 MYC 0.642857 0.967742
4 MRI 0.603448 1
5 IRH 0.59375 0.909091
6 CC6 0.532258 1
7 AFE 0.48 0.857143
8 AGI 0.444444 0.933333
9 GEN 0.4375 0.935484
10 J8G 0.426471 0.852941
11 SL0 0.418605 0.833333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4REL; Ligand: KMP; 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: 4rel.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
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