MolNFT v1 · #46856 · protein
Crystal structure of acetyltransferase gnat family (YP_013287.1) from listeria monocytogenes 4B F2365 at 1.46 a resolution
2OH1 · Acetyltransferase, gnat family: “Crystal structure of acetyltransferase gnat family (YP_013287.1) from listeria monocytogenes 4B F2365 at 1.46…”. X-ray diffraction, 1 ligand (UNL), 4 pockets (best druggability 0.81). MolNFT v1…
- PDB
- 2OH1
- Type
- protein
- Length
- 695 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acetyltransferase, gnat family
- EC
- 2.3.-.-
- UniProt
- Q722P7
- Ligands
- UNL
- Pockets
- 4 · best druggability 0.81
Structure
x-ray diffraction · 3 distinct chains · 41% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Acetyltransferase, gnat family (EC 2.3.-.-) | protein | 175 | 39% helix, 30% strand | Q722P7 |
| B, D | Acetyltransferase, gnat family (EC 2.3.-.-) | protein | 174 | 44% helix, 31% strand | Q722P7 |
| C | Acetyltransferase, gnat family (EC 2.3.-.-) | protein | 172 | 41% helix, 31% strand | Q722P7 |
Ligands and binding sites
- UNL · Unknown ligand · ligand · 3 copies · chains A, B, D
- EDO · 1,2-ethanediol · additive · 7 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1011 | 0.81 | 0.82 | 105 | UNL |
| 2 | 941 | 0.81 | 0.83 | 97 | EDO, UNL |
| 3 | 370 | 0.58 | 0.76 | 48 | empty |
| 4 | 52 | 0.23 | 0.72 | 14 | empty |
Interfaces
5 interfaces between chains.
- C–D · 1498 Ų buried · 21 hydrogen bonds · protein-protein
- A–B · 1486 Ų buried · 20 hydrogen bonds · protein-protein
- A–C · 251 Ų buried · 1 hydrogen bond · protein-protein
- B–D · 249 Ų buried · 1 hydrogen bond · protein-protein
- A–D · 24 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 24 modified (engineered).
Compared structures
- 2OH1 · Crystal structure of acetyltransferase GNAT family (YP_013287.1) from Listeria… · 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 Q722P7
- Elsewhere: RCSB PDB 2OH1 · PDBe 2OH1 · UniProt Q722P7
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