Receptor
PDB id Resolution Class Description Source Keywords
2AJH 2.4 Å EC: 6.1.1.4 CRYSTAL STRUCTURE OF THE EDITING DOMAIN OF E. COLI LEUCYL-TR SYNTHETASE COMPLEXES WITH METHIONINE ESCHERICHIA COLI EDITING DOMAIN LEUCYL-TRNA SYNTHETASE LIGASE
Ref.: CRYSTAL STRUCTURES OF THE EDITING DOMAIN OF ESCHERI LEUCYL-TRNA SYNTHETASE AND ITS COMPLEXES WITH MET A REVEAL A LOCK-AND-KEY MECHANISM FOR AMINO ACID DISCRIMINATION BIOCHEM.J. V. 394 399 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MET A:501;
B:601;
Valid;
Valid;
none;
none;
submit data
149.211 C5 H11 N O2 S CSCC[...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2AJH 2.4 Å EC: 6.1.1.4 CRYSTAL STRUCTURE OF THE EDITING DOMAIN OF E. COLI LEUCYL-TR SYNTHETASE COMPLEXES WITH METHIONINE ESCHERICHIA COLI EDITING DOMAIN LEUCYL-TRNA SYNTHETASE LIGASE
Ref.: CRYSTAL STRUCTURES OF THE EDITING DOMAIN OF ESCHERI LEUCYL-TRNA SYNTHETASE AND ITS COMPLEXES WITH MET A REVEAL A LOCK-AND-KEY MECHANISM FOR AMINO ACID DISCRIMINATION BIOCHEM.J. V. 394 399 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 2AJH - MET C5 H11 N O2 S CSCC[C@@H]....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 2AJH - MET C5 H11 N O2 S CSCC[C@@H]....
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 2AJH - MET C5 H11 N O2 S CSCC[C@@H]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MET; Similar ligands found: 32
No: Ligand ECFP6 Tc MDL keys Tc
1 MED 1 1
2 MET 1 1
3 DBB 0.518519 0.655172
4 ABA 0.518519 0.655172
5 2FM 0.514286 0.666667
6 MF3 0.5 0.647059
7 NVA 0.5 0.758621
8 HSE 0.466667 0.617647
9 DAB 0.466667 0.636364
10 MHO 0.457143 0.717949
11 SME 0.457143 0.717949
12 HCS 0.451613 0.733333
13 API 0.451613 0.606061
14 CDT 0.447368 0.756757
15 2MM 0.444444 0.657143
16 NLE 0.441176 0.766667
17 ONL 0.441176 0.71875
18 UN1 0.428571 0.606061
19 11C 0.428571 0.606061
20 MSE 0.428571 0.9
21 DGL 0.424242 0.625
22 GGL 0.424242 0.625
23 GLU 0.424242 0.625
24 CBH 0.418605 0.685714
25 ORN 0.411765 0.65625
26 FME 0.410256 0.84375
27 AME 0.410256 0.771429
28 LEU 0.40625 0.666667
29 JM6 0.4 0.7
30 CYS 0.4 0.666667
31 DCY 0.4 0.666667
32 C2N 0.4 0.633333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2AJH; Ligand: MET; 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: 2ajh.bio2) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2AJH; Ligand: MET; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2ajh.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
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