Receptor
PDB id Resolution Class Description Source Keywords
2CJH 2 Å EC: 2.6.1.36 LYSINE AMINOTRANSFERASE FROM M. TUBERCULOSIS IN THE INTERNAL FORM WITH BOUND SUBSTRATE 2-KETOGLUTARATE MYCOBACTERIUM TUBERCULOSIS TRANSFERASE INTERNAL ALDIMINE RV3290C AMINOTRANSFERASE
Ref.: DIRECT EVIDENCE FOR A GLUTAMATE SWITCH NECESSARY FO SUBSTRATE RECOGNITION: CRYSTAL STRUCTURES OF LYSINE EPSILON-AMINOTRANSFERASE (RV3290C) FROM MYCOBACTERI TUBERCULOSIS H37RV. J.MOL.BIOL. V. 362 877 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AKG A:1451;
Valid;
none;
submit data
146.098 C5 H6 O5 C(CC(...
PLP A:1450;
Invalid;
none;
submit data
247.142 C8 H10 N O6 P Cc1c(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2CJH 2 Å EC: 2.6.1.36 LYSINE AMINOTRANSFERASE FROM M. TUBERCULOSIS IN THE INTERNAL FORM WITH BOUND SUBSTRATE 2-KETOGLUTARATE MYCOBACTERIUM TUBERCULOSIS TRANSFERASE INTERNAL ALDIMINE RV3290C AMINOTRANSFERASE
Ref.: DIRECT EVIDENCE FOR A GLUTAMATE SWITCH NECESSARY FO SUBSTRATE RECOGNITION: CRYSTAL STRUCTURES OF LYSINE EPSILON-AMINOTRANSFERASE (RV3290C) FROM MYCOBACTERI TUBERCULOSIS H37RV. J.MOL.BIOL. V. 362 877 2006
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2CJH - AKG C5 H6 O5 C(CC(=O)O)....
2 2CJG - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
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 2CJH - AKG C5 H6 O5 C(CC(=O)O)....
2 2CJG - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
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 2CJH - AKG C5 H6 O5 C(CC(=O)O)....
2 2CJG - PMP C8 H13 N2 O5 P Cc1c(c(c(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AKG; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 AKG 1 1
2 SIN 0.526316 0.833333
3 OOG 0.5 0.947368
4 69O 0.458333 0.714286
5 2IT 0.423077 0.615385
6 SHF 0.416667 0.666667
7 3PY 0.409091 0.652174
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2CJH; Ligand: AKG; Similar sites found with APoc: 4
This union binding pocket(no: 1) in the query (biounit: 2cjh.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 3A8U PLP 20.49
2 4UOX PLP 34.5212
3 4UHO PLP 36.5256
4 6FYQ PLP 40.5345
Pocket No.: 2; Query (leader) PDB : 2CJH; Ligand: AKG; 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: 2cjh.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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