MolNFT v1 · #180405 · protein
Structure of a gnat superfamily PA3944 acetyltransferase in complex with ches
7KYE · Acetyltransferase PA3944: “Structure of a gnat superfamily PA3944 acetyltransferase in complex with ches”. X-ray diffraction, 1 ligand (COA), 1 pocket (best druggability 0.79). MolNFT v1 #180405 on GenesisL1: 3D structure, binding…
- PDB
- 7KYE
- Type
- protein
- Length
- 184 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acetyltransferase PA3944
- EC
- 2.3.1.-
- UniProt
- Q9HX72
- Ligands
- COA
- Pockets
- 1 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Acetyltransferase PA3944 (EC 2.3.1.-) | protein | 184 | 37% helix, 25% strand | Q9HX72 |
Ligands and binding sites
- COA · Coenzyme A · ligand · chains A
- EDO · 1,2-ethanediol · additive · 2 copies · chains A
- NHE · 2-[N-cyclohexylamino]ethane sulfonic acid · 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 | 686 | 0.79 | 0.83 | 58 | COA, NHE |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 7KYE · Structure of a GNAT superfamily PA3944 acetyltransferase in complex with CHES · the same entry in another collection · chain A against A, TM-score 1.00
- Q9HX72 · AlphaFold monomer V2.0 prediction for acetyltransferase PA3944 (Q9HX72) · a predicted model of the same protein · chain A against A, TM-score 0.96
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 Q9HX72
- Elsewhere: RCSB PDB 7KYE · PDBe 7KYE · UniProt Q9HX72
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.