MolNFT v1 · #179248 · protein
Aminoglycoside N-2'-acetyltransferase-ia [AAC(2')-ia] in complex with CoA
7JZS · Aminoglycoside 2'-N-acetyltransferase: “Aminoglycoside N-2'-acetyltransferase-ia [AAC(2')-ia] in complex with CoA”. X-ray diffraction, 2 ligands (COA, SO4), 1 pocket (best druggability 0.62). MolNFT v1 #179248 on GenesisL1: 3D…
- PDB
- 7JZS
- Type
- protein
- Length
- 182 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aminoglycoside 2'-N-acetyltransferase
- EC
- 2.3.1.59
- UniProt
- Q52424
- Ligands
- COA, SO4
- Pockets
- 1 · best druggability 0.62
Structure
x-ray diffraction · 1 distinct chain · 27% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aminoglycoside 2'-N-acetyltransferase (EC 2.3.1.59) | protein | 182 | 27% helix, 36% strand | Q52424 |
Ligands and binding sites
- COA · Coenzyme A · ligand · chains A
- SO4 · Sulfate ion · ion · 2 copies · chains A
- PEG · Di(hydroxyethyl)ether · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 481 | 0.62 | 0.75 | 50 | COA |
Compared structures
- 7JZS · Aminoglycoside N-2'-Acetyltransferase-Ia [AAC(2')-Ia] in complex with CoA · the same entry in another collection · chain A against A, TM-score 1.00
- Q52424 · AlphaFold monomer V2.0 prediction for aminoglycoside 2'-N-acetyltransferase (Q52424) · a predicted model of the same protein · chain A against A, TM-score 0.92
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 Q52424
- Elsewhere: RCSB PDB 7JZS · PDBe 7JZS · UniProt Q52424
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