Receptor
PDB id Resolution Class Description Source Keywords
4P4M 1.92 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF LEISHMANIA INFANTUM POLYMERASE BETA: TE COMPLEX LEISHMANIA INFANTUM DNA POLYMERASE TRANSFERASE-DNA COMPLEX
Ref.: STRUCTURES OF THE LEISHMANIA INFANTUM POLYMERASE BE DNA REPAIR (AMST.) V. 18 1 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DA DT DA DC DT DG E:6;
 Invalid;
 none;
 submit data
n/a n/a
MG A:402;
 Part of Protein;
 none;
 submit data
24.305 Mg [Mg+2...
DC DA DG DT DA D:1;
 Invalid;
 none;
 submit data
n/a n/a
NA A:403;
 Part of Protein;
 none;
 submit data
22.99 Na [Na+]
D3T A:401;
 Valid;
 none;
 submit data
466.169 C10 H17 N2 O13 P3 CC1=C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4P4M 1.92 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF LEISHMANIA INFANTUM POLYMERASE BETA: TE COMPLEX LEISHMANIA INFANTUM DNA POLYMERASE TRANSFERASE-DNA COMPLEX
Ref.: STRUCTURES OF THE LEISHMANIA INFANTUM POLYMERASE BE DNA REPAIR (AMST.) V. 18 1 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 319 families.
1 4P4M - D3T C10 H17 N2 O13 P3 CC1=CN(C(=....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 271 families.
1 4P4M - D3T C10 H17 N2 O13 P3 CC1=CN(C(=....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 223 families.
1 4P4M - D3T C10 H17 N2 O13 P3 CC1=CN(C(=....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: D3T; Similar ligands found: 47
No: Ligand ECFP6 Tc MDL keys Tc
1 D3T 1 1
2 2DT 0.75 0.985714
3 TTP 0.62963 0.971831
4 DCT 0.559524 0.891892
5 TYD 0.542169 0.971831
6 D4T 0.541176 0.928571
7 AZD 0.511111 0.907895
8 ATY 0.505618 0.945205
9 TMP 0.464286 0.957747
10 ABT 0.463918 0.884615
11 D4D 0.45977 0.928571
12 TLO 0.453608 0.918919
13 T3P 0.451219 0.943662
14 1JB 0.45 0.906667
15 TRH 0.45 0.906667
16 18T 0.45 0.906667
17 TDX 0.45 0.918919
18 DAU 0.445545 0.906667
19 NYM 0.44186 0.931507
20 FDM 0.44186 0.918919
21 T3F 0.441176 0.883117
22 T3Q 0.441176 0.883117
23 THP 0.436782 0.971429
24 3R2 0.435644 0.894737
25 0FX 0.432692 0.883117
26 MMF 0.432692 0.883117
27 TPE 0.431373 0.894737
28 ATM 0.428571 0.894737
29 3YN 0.427184 0.906667
30 DWN 0.427184 0.883117
31 QDM 0.424528 0.871795
32 BUP 0.423913 0.842105
33 0N2 0.423077 0.871795
34 T46 0.423077 0.906667
35 1YF 0.420561 0.894737
36 FNF 0.420561 0.894737
37 AKM 0.420561 0.8625
38 THM 0.417722 0.847222
39 LLT 0.417722 0.847222
40 4TG 0.416667 0.894737
41 TTP MG 0.414894 0.916667
42 DUT 0.413043 0.929577
43 TBD 0.413043 0.932432
44 JHZ 0.407407 0.860759
45 UTP 0.406593 0.875
46 U5F 0.402174 0.875
47 T5A 0.401709 0.819277
Similar Ligands (3D)
Ligand no: 1; Ligand: D3T; Similar ligands found: 8
No: Ligand Similarity coefficient
1 2KH 0.9355
2 DCP 0.9176
3 DTP 0.8721
4 ATP 0.8684
5 CTP 0.8678
6 AGS 0.8642
7 GTP 0.8609
8 3AT 0.8588
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4P4M; Ligand: D3T; Similar sites found with APoc: 2
This union binding pocket(no: 1) in the query (biounit: 4p4m.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 3B0X DGT 41.5344
2 6IPH DTP 44.9438
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