Research workbench
The nata acetyltransferase complex bound to inositol hexakisphosphate
Analyse The nata acetyltransferase complex bound to inositol hexakisphosphate in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4HNW
- Type
- protein
- Length
- 971 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- N-terminal acetyltransferase a complex subunit NAT1; N-terminal acetyltransferase a…
- EC
- 2.3.1.88
- UniProt
- P12945, P07347
- Ligands
- IHP
- Pockets
- 11 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 67% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | N-terminal acetyltransferase a complex subunit NAT1 | protein | 782 | 76% helix, 0% strand | P12945 |
| B | N-terminal acetyltransferase a complex catalytic subunit ARD1 (EC 2.3.1.88) | protein | 189 | 29% helix, 28% strand | P07347 |
Ligands and binding sites
- IHP · Inositol hexakisphosphate · ligand · chains A, B
- PG4 · Tetraethylene glycol · additive · 5 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1200 | 0.76 | 0.78 | 122 | IHP |
| 2 | 635 | 0.72 | 0.80 | 52 | empty |
| 3 | 465 | 0.63 | 0.77 | 59 | empty |
| 4 | 187 | 0.60 | 0.82 | 43 | empty |
| 5 | 267 | 0.56 | 0.77 | 41 | empty |
Interfaces
1 interface between chains.
- A–B · 3578 Ų buried · 49 hydrogen bonds · protein-protein
Compared structures
- 4HNW · The NatA Acetyltransferase Complex Bound To Inositol Hexakisphosphate · the same entry in another collection · chain A against A, TM-score 1.00
- P12945 · AlphaFold monomer V2.0 prediction for N-terminal acetyltransferase a complex subunit NAT1… · a predicted model of the same protein · chain A against A, TM-score 0.97
- P07347 · AlphaFold monomer V2.0 prediction for N-terminal acetyltransferase a complex catalytic… · a predicted model of the same protein · chain B against A, TM-score 0.88
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 P12945
- Every structure of UniProt P07347
- Elsewhere: RCSB PDB 4HNW · PDBe 4HNW · UniProt P12945 · UniProt P07347
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