MolNFT v1 · #175500 · protein
Aminoglycoside 2'-N-acetyltransferase from mycolicibacterium smegmatis-complex with coenzyme a and gentamicin
7CSJ: “Aminoglycoside 2'-N-acetyltransferase from mycolicibacterium smegmatis-complex with coenzyme a and gentamicin”. X-ray diffraction, 2 ligands (COA, 51G), 5 pockets (best druggability 0.64). MolNFT v1 #175500 on GenesisL1: 3D…
- PDB
- 7CSJ
- Type
- protein
- Length
- 374 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
- P94968
- Ligands
- COA, 51G
- Pockets
- 5 · best druggability 0.64
Structure
x-ray diffraction · 2 distinct chains · 27% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aminoglycoside 2'-N-acetyltransferase (EC 2.3.1.-) | protein | 189 | 27% helix, 32% strand | P94968 |
| B | Aminoglycoside 2'-N-acetyltransferase (EC 2.3.1.-) | protein | 185 | 27% helix, 35% strand | P94968 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 336 | 0.64 | 0.79 | 36 | 51G, COA |
| 2 | 318 | 0.59 | 0.77 | 34 | COA |
| 3 | 96 | 0.49 | 0.82 | 19 | empty |
| 4 | 141 | 0.43 | 0.76 | 32 | empty |
| 5 | 95 | 0.36 | 0.75 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 1331 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 7CSJ · Aminoglycoside 2'-N-acetyltransferase from Mycolicibacterium smegmatis-Complex with… · the same entry in another collection · chain A against A, TM-score 1.00
- P94968 · AlphaFold monomer V2.0 prediction for aminoglycoside 2'-N-acetyltransferase (P94968) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 P94968
- Elsewhere: RCSB PDB 7CSJ · PDBe 7CSJ · UniProt P94968
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