Receptor
PDB id Resolution Class Description Source Keywords
4GPS 2.4 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF K. LACTIS DXO1 (YDR370C) KLUYVEROMYCES LACTIS KLUYVEROMYCES LACTIS DECAPPING 5-prime -3-prime EXORIBONUCLEASE HYDR
Ref.: DXO1 IS A NEW TYPE OF EUKARYOTIC ENZYME WITH BOTH D AND 5'-3' EXORIBONUCLEASE ACTIVITY. NAT.STRUCT.MOL.BIOL. V. 19 1011 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CIT A:501;
Valid;
none;
submit data
192.124 C6 H8 O7 C(C(=...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4GPS 2.4 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF K. LACTIS DXO1 (YDR370C) KLUYVEROMYCES LACTIS KLUYVEROMYCES LACTIS DECAPPING 5-prime -3-prime EXORIBONUCLEASE HYDR
Ref.: DXO1 IS A NEW TYPE OF EUKARYOTIC ENZYME WITH BOTH D AND 5'-3' EXORIBONUCLEASE ACTIVITY. NAT.STRUCT.MOL.BIOL. V. 19 1011 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 4GPS - CIT C6 H8 O7 C(C(=O)O)C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 4GPS - CIT C6 H8 O7 C(C(=O)O)C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 4GPS - CIT C6 H8 O7 C(C(=O)O)C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CIT; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 CIT 1 1
2 HCA 0.576923 0.884615
3 MAH 0.44 0.807692
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4GPS; Ligand: CIT; Similar sites found: 10
This union binding pocket(no: 1) in the query (biounit: 4gps.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1FEC FAD 0.02648 0.4244 1.65485
2 2WPF WPF 0.0387 0.4413 1.89125
3 2WPF FAD 0.04116 0.43637 1.89125
4 1G0N PHH 0.04997 0.41712 2.4735
5 1TDF FAD 0.03625 0.42079 2.53165
6 3HVJ 705 0.03767 0.40867 3.16742
7 3I59 N6S 0.009396 0.41733 4.81928
8 5AYE BMA BMA 0.01047 0.41179 5.67164
9 4PIV NDP 0.02062 0.41415 5.91017
10 3SQG TP7 0.03146 0.40998 8.60215
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