Receptor
PDB id Resolution Class Description Source Keywords
11AS 2.5 Å EC: 6.3.1.1 ASPARAGINE SYNTHETASE MUTANT C51A, C315A COMPLEXED WITH L- ASPARAGINE ESCHERICHIA COLI K12 LIGASE ASPARAGINE SYNTHETASE NITROGEN FIXATION
Ref.: CRYSTAL STRUCTURE OF ASPARAGINE SYNTHETASE REVEALS A CLOSE EVOLUTIONARY RELATIONSHIP TO CLASS II AMINOACYL-TRNA SYNTHETASE. NAT.STRUCT.BIOL. V. 5 15 1998
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ASN A:331;
B:331;
Valid;
Valid;
none;
none;
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132.118 C4 H8 N2 O3 C([C@...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
12AS 2.2 Å EC: 6.3.1.1 ASPARAGINE SYNTHETASE MUTANT C51A, C315A COMPLEXED WITH L- ASPARAGINE AND AMP ESCHERICHIA COLI K12 LIGASE ASPARAGINE SYNTHETASE NITROGEN FIXATION
Ref.: CRYSTAL STRUCTURE OF ASPARAGINE SYNTHETASE REVEALS A CLOSE EVOLUTIONARY RELATIONSHIP TO CLASS II AMINOACYL-TRNA SYNTHETASE. NAT.STRUCT.BIOL. V. 5 15 1998
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 11AS - ASN C4 H8 N2 O3 C([C@@H](C....
2 12AS - AMP C10 H14 N5 O7 P c1nc(c2c(n....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 11AS - ASN C4 H8 N2 O3 C([C@@H](C....
2 12AS - AMP C10 H14 N5 O7 P c1nc(c2c(n....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 11AS - ASN C4 H8 N2 O3 C([C@@H](C....
2 12AS - AMP C10 H14 N5 O7 P c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ASN; Similar ligands found: 23
No: Ligand ECFP6 Tc MDL keys Tc
1 ASN 1 1
2 DAS 0.636364 0.793103
3 ASP 0.636364 0.793103
4 SER 0.545455 0.625
5 2RA 0.545455 0.65625
6 ABA 0.545455 0.6
7 DBB 0.545455 0.6
8 DSN 0.545455 0.625
9 CYS 0.521739 0.612903
10 DCY 0.521739 0.612903
11 SD4 0.5 0.756757
12 DGN 0.481481 0.833333
13 GLN 0.481481 0.833333
14 DAB 0.48 0.636364
15 HSE 0.48 0.666667
16 API 0.461538 0.65625
17 AS2 0.461538 0.785714
18 CSO 0.461538 0.611111
19 GLU 0.428571 0.677419
20 DGL 0.428571 0.677419
21 HGY 0.428571 0.6
22 GGL 0.428571 0.677419
23 ONL 0.4 0.617647
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 12AS; Ligand: AMP; Similar sites found with APoc: 2
This union binding pocket(no: 1) in the query (biounit: 12as.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
1 3REU ATP 8.16327
2 3REU ATP 8.16327
Pocket No.: 2; Query (leader) PDB : 12AS; Ligand: AMP; Similar sites found with APoc: 3
This union binding pocket(no: 2) in the query (biounit: 12as.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 3REU ATP 8.16327
2 3REU ATP 8.16327
3 3NEM ATP 10.6061
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