Receptor
PDB id Resolution Class Description Source Keywords
1AJS 1.6 Å EC: 2.6.1.1 REFINEMENT AND COMPARISON OF THE CRYSTAL STRUCTURES OF PIG CYTOSOLIC ASPARTATE AMINOTRANSFERASE AND ITS COMPLEX WITH 2 -METHYLASPARTATE SUS SCROFA CYTOSOLIC ASPARTATE AMINOTRANSFERASE PIG IN THE PRESENCE OF LIGAND 2-METHYLASPARTATE AMINOTRANSFERASE
Ref.: REFINEMENT AND COMPARISONS OF THE CRYSTAL STRUCTURES OF PIG CYTOSOLIC ASPARTATE AMINOTRANSFERASE AND ITS COMPLEX WITH 2-METHYLASPARTATE. J.BIOL.CHEM. V. 272 17293 1997
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PLA A:415;
Valid;
none;
submit data
378.272 C13 H19 N2 O9 P Cc1c(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1AJS 1.6 Å EC: 2.6.1.1 REFINEMENT AND COMPARISON OF THE CRYSTAL STRUCTURES OF PIG CYTOSOLIC ASPARTATE AMINOTRANSFERASE AND ITS COMPLEX WITH 2 -METHYLASPARTATE SUS SCROFA CYTOSOLIC ASPARTATE AMINOTRANSFERASE PIG IN THE PRESENCE OF LIGAND 2-METHYLASPARTATE AMINOTRANSFERASE
Ref.: REFINEMENT AND COMPARISONS OF THE CRYSTAL STRUCTURES OF PIG CYTOSOLIC ASPARTATE AMINOTRANSFERASE AND ITS COMPLEX WITH 2-METHYLASPARTATE. J.BIOL.CHEM. V. 272 17293 1997
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 12 families.
1 1AJS - PLA C13 H19 N2 O9 P 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 10 families.
1 1AJS - PLA C13 H19 N2 O9 P 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 5 families.
1 1AJS - PLA C13 H19 N2 O9 P Cc1c(c(c(c....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: PLA; Similar ligands found: 61
No: Ligand ECFP6 Tc MDL keys Tc
1 PLA 1 1
2 PMG 0.782609 0.969231
3 PLG 0.637681 0.90625
4 CBA 0.626667 0.823529
5 IK2 0.60274 0.865672
6 76U 0.589744 0.865672
7 PP3 0.589041 0.920635
8 PDA 0.589041 0.920635
9 P1T 0.589041 0.865672
10 PDD 0.589041 0.920635
11 PPD 0.586667 0.936508
12 PGU 0.584416 0.907692
13 PDG 0.584416 0.907692
14 TLP 0.573333 0.890625
15 5PA 0.573333 0.893939
16 PLS 0.573333 0.90625
17 2BK 0.573333 0.890625
18 2BO 0.573333 0.890625
19 C6P 0.565789 0.90625
20 N5F 0.5625 0.893939
21 EA5 0.5625 0.867647
22 DN9 0.559524 0.833333
23 PY5 0.558442 0.909091
24 IN5 0.547945 0.888889
25 7XF 0.544304 0.878788
26 ILP 0.544304 0.892308
27 PSZ 0.54321 0.763889
28 PXG 0.542169 0.820895
29 33P 0.539474 0.875
30 LPI 0.5375 0.897059
31 QLP 0.5375 0.855072
32 HEY 0.530864 0.852941
33 PY6 0.530864 0.910448
34 KAM 0.529412 0.893939
35 3LM 0.52439 0.828571
36 ORX 0.52439 0.865672
37 PL4 0.52381 0.865672
38 RW2 0.52381 0.814286
39 PXP 0.522388 0.75
40 PE1 0.518072 0.865672
41 PMP 0.514706 0.8125
42 PMH 0.512821 0.670886
43 GT1 0.507246 0.727273
44 0PR 0.505882 0.892308
45 AQ3 0.505618 0.852941
46 DCS 0.5 0.730769
47 PL2 0.5 0.75
48 9YM 0.5 0.797101
49 7TS 0.487805 0.679012
50 CKT 0.481013 0.833333
51 PL8 0.449438 0.773333
52 RMT 0.444444 0.757143
53 PLR 0.441176 0.714286
54 1D0 0.44086 0.814286
55 7B9 0.43956 0.805556
56 PLP 2KZ 0.433735 0.791045
57 PPG 0.433333 0.838235
58 OJQ 0.411765 0.654321
59 PLP 0.402778 0.703125
60 GAB PLP 0.402174 0.779412
61 AN7 0.4 0.707692
Similar Ligands (3D)
Ligand no: 1; Ligand: PLA; Similar ligands found: 24
No: Ligand Similarity coefficient
1 PLP 0A0 0.9879
2 PPE 0.9619
3 3QP 0.9607
4 KET 0.9568
5 PL6 0.9540
6 PLP 2ML 0.9501
7 ASP PLP 0.9107
8 PLP ALO 0.8973
9 PLP CYS 0.8951
10 PLP SER 0.8945
11 SER PLP 0.8936
12 PLP PHE 0.8917
13 HCP 0.8892
14 PM9 0.8775
15 PLP 2TL 0.8748
16 PLP MET 0.8728
17 MPM 0.8723
18 L7N 0.8697
19 MET PLP 0.8692
20 4LM 0.8682
21 EVM 0.8682
22 KOU 0.8659
23 TYR PLP 0.8658
24 0JO 0.8519
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1AJS; Ligand: PLA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1ajs.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
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