MolNFT v1 · #14285 · protein
Aminoglycoside 2'-N-acetyltransferase from mycobacterium tuberculosis- complex with coenzyme a and kanamycin a
1M4I: “Aminoglycoside 2'-N-acetyltransferase from mycobacterium tuberculosis- complex with coenzyme a and kanamycin a”. X-ray diffraction, 3 ligands (COA, KAN, PAP), 2 pockets (best druggability 0.60). MolNFT v1 #14285 on GenesisL1: 3D…
- PDB
- 1M4I
- Type
- protein
- Length
- 357 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aminoglycoside 2'-N-acetyltransferase
- EC
- 2.3.1.-
- UniProt
- P0A5N0
- Ligands
- COA, KAN, PAP
- Pockets
- 2 · best druggability 0.60
Structure
x-ray diffraction · 2 distinct chains · 28% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aminoglycoside 2'-N-acetyltransferase (EC 2.3.1.-) | protein | 181 | 28% helix, 35% strand | P0A5N0 |
| B | Aminoglycoside 2'-N-acetyltransferase (EC 2.3.1.-) | protein | 176 | 28% helix, 36% strand | P0A5N0 |
Ligands and binding sites
- COA · Coenzyme A · ligand · 2 copies · chains A, B
- KAN · Kanamycin A · ligand · 2 copies · chains A, B
- PAP · 3'-phosphate-adenosine-5'-diphosphate · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 354 | 0.60 | 0.77 | 32 | COA, KAN |
| 2 | 291 | 0.58 | 0.77 | 33 | COA, KAN |
Interfaces
1 interface between chains.
- A–B · 1253 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 1M4I · Aminoglycoside 2'-N-acetyltransferase from Mycobacterium tuberculosis-Complex with… · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P0A5N0
- Elsewhere: RCSB PDB 1M4I · PDBe 1M4I · UniProt P0A5N0
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