Receptor
PDB id Resolution Class Description Source Keywords
2R5C 1.96 Å EC: 2.6.1.7 AEDES KYNURENINE AMINOTRANSFERASE IN COMPLEX WITH CYSTEINE AEDES AEGYPTI ALPHA AND BETA PROTEIN PYRIDOXAL-5-PHOSPHATE DEPENDENT TRANSFERASE AMINOTRANSFERASE
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
C6P B:430;
Valid;
none;
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352.301 C11 H17 N2 O7 P S Cc1c(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2R5C 1.96 Å EC: 2.6.1.7 AEDES KYNURENINE AMINOTRANSFERASE IN COMPLEX WITH CYSTEINE AEDES AEGYPTI ALPHA AND BETA PROTEIN PYRIDOXAL-5-PHOSPHATE DEPENDENT TRANSFERASE AMINOTRANSFERASE
Ref.: STRUCTURAL INSIGHT INTO THE MECHANISM OF SUBSTRATE SPECIFICITY OF AEDES KYNURENINE AMINOTRANSFERASE. BIOCHEMISTRY V. 47 1622 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2R5C - C6P C11 H17 N2 O7 P S Cc1c(c(c(c....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2R5C - C6P C11 H17 N2 O7 P S Cc1c(c(c(c....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2R5C - C6P C11 H17 N2 O7 P S Cc1c(c(c(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: C6P; Similar ligands found: 79
No: Ligand ECFP6 Tc MDL keys Tc
1 C6P 1 1
2 7XF 0.80597 0.967213
3 PLS 0.8 0.966667
4 PPD 0.787879 0.966667
5 PY5 0.776119 0.90625
6 PGU 0.753623 0.935484
7 PDG 0.753623 0.935484
8 LPI 0.742857 0.893939
9 QLP 0.742857 0.878788
10 PY6 0.732394 0.878788
11 N5F 0.722222 0.920635
12 ORX 0.722222 0.920635
13 PDA 0.716418 0.918033
14 PP3 0.716418 0.918033
15 PDD 0.716418 0.918033
16 PE1 0.712329 0.920635
17 2BO 0.695652 0.918033
18 TLP 0.695652 0.918033
19 2BK 0.695652 0.918033
20 PL4 0.693333 0.920635
21 ILP 0.680556 0.888889
22 IN5 0.671642 0.885246
23 AQ3 0.641975 0.90625
24 PLG 0.623188 0.934426
25 76U 0.618421 0.890625
26 P1T 0.597222 0.920635
27 CBA 0.592105 0.875
28 IK2 0.589041 0.890625
29 5PA 0.581081 0.920635
30 KAM 0.573171 0.861538
31 EA5 0.56962 0.892308
32 33P 0.567568 0.84127
33 PLA 0.565789 0.90625
34 PMG 0.544304 0.878788
35 HEY 0.5375 0.876923
36 PSZ 0.530864 0.835821
37 3LM 0.530864 0.850746
38 PXP 0.530303 0.8
39 PXG 0.53012 0.873016
40 PMP 0.522388 0.866667
41 PMH 0.519481 0.706667
42 GT1 0.514706 0.71875
43 RW2 0.511905 0.863636
44 PL2 0.506173 0.794118
45 DCS 0.506173 0.77027
46 7TS 0.493827 0.714286
47 9YM 0.470588 0.846154
48 PL8 0.454545 0.791667
49 7B9 0.444444 0.826087
50 0JO 0.443038 0.753846
51 PLP CYS 0.439024 0.934426
52 PLP 2KZ 0.439024 0.84127
53 F0G 0.4375 0.774194
54 KOU 0.432099 0.83871
55 PLR 0.426471 0.704918
56 PPE 0.423529 0.920635
57 PZP 0.422535 0.754098
58 PPG 0.422222 0.861538
59 RMT 0.417582 0.80303
60 P0P 0.416667 0.75
61 CAN PLP 0.41573 0.835821
62 1D0 0.414894 0.863636
63 PL6 0.411765 0.793651
64 EVM 0.409639 0.825397
65 PLP 0.408451 0.75
66 4LM 0.407407 0.738462
67 Z98 0.406977 0.84375
68 FEJ 0.406977 0.765625
69 GBC PLP 0.406593 0.828125
70 GAB PLP 0.406593 0.828125
71 AN7 0.405063 0.754098
72 EPC 0.405063 0.741935
73 LCS 0.402299 0.710526
74 EQJ 0.402174 0.818182
75 5DK 0.402174 0.818182
76 2B6 0.4 0.697368
77 PUS 0.4 0.722222
78 PL5 0.4 0.8125
79 FOO 0.4 0.790323
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2R5C; Ligand: C6P; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 2r5c.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 2HOX P1T 3.51288
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