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...
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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 311 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 266 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 218 families.
1 4P4M - D3T C10 H17 N2 O13 P3 CC1=CN(C(=....
Polypharmacology
Similar Ligands
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 TDX 0.45 0.918919
16 18T 0.45 0.906667
17 TRH 0.45 0.906667
18 DT DC 0.449541 0.857143
19 DAU 0.445545 0.906667
20 FDM 0.44186 0.918919
21 NYM 0.44186 0.931507
22 T3F 0.441176 0.883117
23 T3Q 0.441176 0.883117
24 THP 0.436782 0.971429
25 3R2 0.435644 0.894737
26 0FX 0.432692 0.883117
27 MMF 0.432692 0.883117
28 TPE 0.431373 0.894737
29 ATM 0.428571 0.894737
30 3YN 0.427184 0.906667
31 DWN 0.427184 0.883117
32 QDM 0.424528 0.871795
33 T46 0.423077 0.906667
34 0N2 0.423077 0.871795
35 AKM 0.420561 0.8625
36 1YF 0.420561 0.894737
37 FNF 0.420561 0.894737
38 LLT 0.417722 0.847222
39 THM 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 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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