Research workbench
Crystal structure of aminoglycoside 6'-acetyltransferase type II in complex with coenzyme a
Analyse Crystal structure of aminoglycoside 6'-acetyltransferase type II in complex… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1N71
- Type
- protein
- Length
- 718 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- AAC(6')-II
- UniProt
- Q47764
- Ligands
- COA, SO4
- Pockets
- 7 · best druggability 0.70
Structure
x-ray diffraction · 2 distinct chains · 28% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | AAC(6')-II | protein | 180 | 27% helix, 30% strand | Q47764 |
| B, C | AAC(6')-II | protein | 179 | 28% helix, 30% strand | Q47764 |
Ligands and binding sites
- COA · Coenzyme A · ligand · 4 copies · chains A, B, C, D
- SO4 · Sulfate ion · ion · 5 copies · chains C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 258 | 0.70 | 0.85 | 41 | COA |
| 2 | 121 | 0.60 | 0.85 | 21 | COA |
| 3 | 72 | 0.53 | 0.86 | 14 | empty |
| 4 | 51 | 0.49 | 0.87 | 14 | empty |
| 5 | 55 | 0.49 | 0.85 | 16 | empty |
Interfaces
3 interfaces between chains.
- C–D · 1561 Ų buried · 26 hydrogen bonds · protein-protein
- A–B · 1540 Ų buried · 24 hydrogen bonds · protein-protein
- A–D · 494 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 1N71 · Crystal structure of aminoglycoside 6'-acetyltransferase type Ii in complex with coenzyme… · 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 Q47764
- Elsewhere: RCSB PDB 1N71 · PDBe 1N71 · UniProt Q47764
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