Receptor
PDB id Resolution Class Description Source Keywords
2R5E 1.84 Å EC: 2.6.1.7 AEDES KYNURENINE AMINOTRANSFERASE IN COMPLEX WITH GLUTAMINE AEDES AEGYPTI ALPHA AND BETA PROTEIN PYRIDOXAL 5-PHOSPHATE AMINOTRANSFERASE TRANSFERASE
Ref.: STRUCTURAL INSIGHT INTO THE MECHANISM OF SUBSTRATE SPECIFICITY OF AEDES KYNURENINE AMINOTRANSFERASE. BIOCHEMISTRY V. 47 1622 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
QLP A:430;
B:430;
 Valid;
Valid;
 none;
none;
 submit data
377.287 C13 H20 N3 O8 P Cc1c(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2R5E 1.84 Å EC: 2.6.1.7 AEDES KYNURENINE AMINOTRANSFERASE IN COMPLEX WITH GLUTAMINE AEDES AEGYPTI ALPHA AND BETA PROTEIN PYRIDOXAL 5-PHOSPHATE AMINOTRANSFERASE TRANSFERASE
Ref.: STRUCTURAL INSIGHT INTO THE MECHANISM OF SUBSTRATE SPECIFICITY OF AEDES KYNURENINE AMINOTRANSFERASE. BIOCHEMISTRY V. 47 1622 2008
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1YIY - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
2 2R5E - QLP C13 H20 N3 O8 P Cc1c(c(c(c....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1YIY - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
2 2R5E - QLP C13 H20 N3 O8 P Cc1c(c(c(c....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1YIY - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
2 2R5E - QLP C13 H20 N3 O8 P Cc1c(c(c(c....
3 3E2Y - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
4 5VEQ - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
5 3FVU - IAC C10 H9 N O2 c1ccc2c(c1....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: QLP; Similar ligands found: 68
No: Ligand ECFP6 Tc MDL keys Tc
1 QLP 1 1
2 PGU 0.865672 0.938462
3 PDG 0.865672 0.938462
4 PY5 0.808824 0.882353
5 7XF 0.785714 0.909091
6 ORX 0.777778 0.924242
7 N5F 0.777778 0.924242
8 LPI 0.774648 0.84507
9 PE1 0.767123 0.924242
10 PY6 0.763889 0.857143
11 PLS 0.753623 0.878788
12 PL4 0.746667 0.924242
13 PPD 0.742857 0.907692
14 C6P 0.742857 0.878788
15 0PR 0.679487 0.865672
16 PP3 0.676056 0.835821
17 PDD 0.676056 0.835821
18 PDA 0.676056 0.835821
19 ILP 0.666667 0.838235
20 TLP 0.657534 0.835821
21 2BK 0.657534 0.835821
22 2BO 0.657534 0.835821
23 AQ3 0.650602 0.828571
24 76U 0.628205 0.895522
25 IN5 0.611111 0.80597
26 EA5 0.6 0.925373
27 PLG 0.589041 0.878788
28 CBA 0.582278 0.880597
29 IK2 0.578947 0.84058
30 P1T 0.565789 0.84058
31 KAM 0.564706 0.867647
32 5PA 0.551282 0.867647
33 33P 0.538462 0.794118
34 PLA 0.5375 0.855072
35 PMG 0.536585 0.884058
36 HEY 0.53012 0.882353
37 PXP 0.521739 0.727273
38 PL2 0.518072 0.802817
39 PMP 0.514286 0.815385
40 PPE 0.506024 0.924242
41 PSZ 0.505882 0.743243
42 3LM 0.505882 0.780822
43 PXG 0.505747 0.797101
44 PMH 0.493827 0.717949
45 DN9 0.488889 0.914286
46 RW2 0.488636 0.816901
47 GT1 0.486111 0.657143
48 DCS 0.482353 0.779221
49 7TS 0.470588 0.725
50 9YM 0.465909 0.8
51 CKT 0.463415 0.808824
52 PL8 0.450549 0.849315
53 7B9 0.44086 0.808219
54 PPG 0.434783 0.867647
55 CAN PLP 0.428571 0.869565
56 1D0 0.427083 0.791667
57 PL6 0.425287 0.776119
58 PLR 0.422535 0.641791
59 Z98 0.420455 0.823529
60 PLP 2KZ 0.418605 0.768116
61 F0G 0.416667 0.705882
62 PUS 0.413043 0.733333
63 KOU 0.411765 0.764706
64 PLP 0.405405 0.681818
65 0JO 0.404762 0.690141
66 5DK 0.4 0.8
67 RMT 0.4 0.736111
68 EQJ 0.4 0.8
Similar Ligands (3D)
Ligand no: 1; Ligand: QLP; Similar ligands found: 11
No: Ligand Similarity coefficient
1 SEP PLP 0.9406
2 KET 0.9188
3 3QP 0.9114
4 TYR PLP 0.9021
5 ASP PLP 0.8996
6 PLP 0A0 0.8938
7 LEU PLP 0.8890
8 PLP PHE 0.8884
9 PL5 0.8870
10 GLU PLP 0.8659
11 PLP 2ML 0.8577
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2R5E; Ligand: QLP; Similar sites found with APoc: 4
This union binding pocket(no: 1) in the query (biounit: 2r5e.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 2HOX P1T 3.51288
2 2HOX P1T 3.51288
3 6L1O TYR 41.8546
4 6L1O PMP 41.8546
Pocket No.: 2; Query (leader) PDB : 2R5E; Ligand: QLP; Similar sites found with APoc: 4
This union binding pocket(no: 2) in the query (biounit: 2r5e.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 2HOX P1T 3.51288
2 2HOX P1T 3.51288
3 6L1O TYR 41.8546
4 6L1O PMP 41.8546
APoc FAQ
Feedback