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Receptor
PDB id Resolution Class Description Source Keywords
2HUI 1.75 Å EC: 2.6.1.44 CRYSTAL STRUCTURE OF AEDES AEGYPTI ALANINE GLYOXYLATE AMINOT IN COMPLEX WITH GLYOXYLIC ACID AEDES AEGYPTI ALPHA AND BETA PROTEIN PLP-DEPENDENT TRANSFERASE TRANSFERA
Ref.: CRYSTAL STRUCTURES OF AEDES AEGYPTI ALANINE GLYOXYL AMINOTRANSFERASE. J.BIOL.CHEM. V. 281 37175 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLV A:601;
B:602;
Valid;
Valid;
none;
none;
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74.035 C2 H2 O3 C(=O)...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2HUI 1.75 Å EC: 2.6.1.44 CRYSTAL STRUCTURE OF AEDES AEGYPTI ALANINE GLYOXYLATE AMINOT IN COMPLEX WITH GLYOXYLIC ACID AEDES AEGYPTI ALPHA AND BETA PROTEIN PLP-DEPENDENT TRANSFERASE TRANSFERA
Ref.: CRYSTAL STRUCTURES OF AEDES AEGYPTI ALANINE GLYOXYL AMINOTRANSFERASE. J.BIOL.CHEM. V. 281 37175 2006
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2HUI - GLV C2 H2 O3 C(=O)C(=O)....
2 2HUU - ALA C3 H7 N O2 C[C@@H](C(....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2HUI - GLV C2 H2 O3 C(=O)C(=O)....
2 2HUU - ALA C3 H7 N O2 C[C@@H](C(....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1H0C - AOA C2 H5 N O3 C(C(=O)O)O....
2 2HUI - GLV C2 H2 O3 C(=O)C(=O)....
3 2HUU - ALA C3 H7 N O2 C[C@@H](C(....
4 1VJO - PLP C8 H10 N O6 P Cc1c(c(c(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLV; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 GLV 1 1
2 MAE 0.5 0.666667
3 FUM 0.5 0.666667
4 OXD 0.416667 0.75
5 CCU 0.411765 0.666667
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2HUI; Ligand: GLV; Similar sites found with APoc: 38
This union binding pocket(no: 1) in the query (biounit: 2hui.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 3HYW DCQ 1.27226
2 4XOQ F42 1.44928
3 3V1Y NAD 2.07715
4 3LPP KTL 2.29008
5 1W8D NAP 2.31788
6 1W6U NAP 2.31788
7 6HLY G9Z 2.93255
8 4Y85 499 3.01205
9 1U7T TDT 3.06513
10 4X8O AP5 3.27103
11 6GAS FAD 3.32326
12 3SJ7 NDP 3.57143
13 2ZAT NAP 3.84615
14 4D42 W0I 4.07125
15 4D42 NAP 4.07125
16 5UR0 NAD 4.29799
17 6F3M NAD 4.3257
18 3BJK CIT 4.57516
19 4FN4 NAD 5.11811
20 1QF9 C5P 5.15464
21 1QF9 ADP 5.15464
22 1QF9 ALF 5.15464
23 4DXJ IPE 5.52486
24 1IY8 NAD 5.61798
25 3O9P MHI 6.10687
26 1E3W NAD 6.13027
27 1E6W NAD 6.15385
28 6CI9 NAP 6.56371
29 3UIM ANP 6.74847
30 1VLJ NAP 7.37913
31 4CQM NAP 8.42912
32 4MKG AP5 9.21659
33 1Z83 AP5 10.7143
34 5X2Z 3LM 11.7048
35 5M3Z PY6 12.9771
36 5M3Z NLE 12.9771
37 4O0L NDP 16.3636
38 4AZJ SEP PLP 22.2222
Pocket No.: 2; Query (leader) PDB : 2HUI; Ligand: GLV; Similar sites found with APoc: 20
This union binding pocket(no: 2) in the query (biounit: 2hui.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 1E5F PLP 2.03562
2 5MWK RAM ARA GAL 8PK 8OQ RAM 2.03562
3 1XKQ NDP 2.14286
4 1XPM HMG 2.29008
5 1XPM CAA 2.29008
6 1ZIN AP5 2.76498
7 5XNC MTA 2.96496
8 1HDG NAD 3.61446
9 2Q16 ITT 3.65297
10 3QV1 NAD 3.85757
11 1AKY AP5 4.54545
12 5MZY 8EZ 4.90566
13 2CDN ADP 5.47264
14 1XG5 NAP 5.73477
15 5GP0 GPP 6.04027
16 1HZP DAO 6.26866
17 4B98 PXG 7.37913
18 5L6G XYP 7.88804
19 2WK9 PLG 9.51157
20 1XHL NDP 11.7845
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