MolNFT v1 · #158275 · protein
Aac-via bound to sisomicin
6NP2 · Aminoglycoside N(3)-acetyltransferase: “Aac-via bound to sisomicin”. X-ray diffraction, 2 ligands (SIS, MG), 1 pocket (best druggability 0.55). MolNFT v1 #158275 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6NP2
- Type
- protein
- Length
- 268 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aminoglycoside N(3)-acetyltransferase
- EC
- 2.3.1.81
- UniProt
- Q47030
- Ligands
- SIS, MG
- Pockets
- 1 · best druggability 0.55
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aminoglycoside N(3)-acetyltransferase (EC 2.3.1.81) | protein | 268 | 37% helix, 21% strand | Q47030 |
Ligands and binding sites
- SIS · (1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside · ligand · chains A
- MG · Magnesium ion · metal · 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 | 282 | 0.55 | 0.76 | 39 | SIS |
Compared structures
- 6NP2 · AAC-VIa bound to Sisomicin · 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 Q47030
- Elsewhere: RCSB PDB 6NP2 · PDBe 6NP2 · UniProt Q47030
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