MolNFT v1 · #67843 · protein
Acetyltransferase from gnat family from colwellia psychrerythraea.
3IWG · Acetyltransferase, gnat family: “Acetyltransferase from gnat family from colwellia psychrerythraea.”. X-ray diffraction, 2 ligands (CL, SO4), 6 pockets (best druggability 0.82). MolNFT v1 #67843 on GenesisL1: 3D structure, binding…
- PDB
- 3IWG
- Type
- protein
- Length
- 535 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acetyltransferase, gnat family
- UniProt
- Q47UI6
- Ligands
- CL, SO4
- Pockets
- 6 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Acetyltransferase, gnat family | protein | 268 | 39% helix, 33% strand | Q47UI6 |
| B | Acetyltransferase, gnat family | protein | 267 | 39% helix, 33% strand | Q47UI6 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1039 | 0.82 | 0.83 | 97 | SO4 |
| 2 | 1087 | 0.80 | 0.82 | 99 | SO4 |
| 3 | 74 | 0.48 | 0.83 | 17 | empty |
| 4 | 82 | 0.47 | 0.82 | 21 | empty |
| 5 | 52 | 0.29 | 0.76 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 1133 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 modified (engineered).
Compared structures
- 3IWG · Acetyltransferase from GNAT family from Colwellia psychrerythraea. · 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 Q47UI6
- Elsewhere: RCSB PDB 3IWG · PDBe 3IWG · UniProt Q47UI6
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