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Crystal structure of a putative acetyltransferase from pyrococcus horikoshii, northeast structural genomics target JR32.
Analyse Crystal structure of a putative acetyltransferase from pyrococcus horikoshii… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2GAN
- Type
- protein
- Length
- 365 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 182AA long hypothetical protein
- Ligands
- SO4
- Pockets
- 7 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 182AA long hypothetical protein | protein | 184 | 40% helix, 24% strand | — |
| B | 182AA long hypothetical protein | protein | 181 | 40% helix, 26% strand | — |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 5 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 193 | 0.82 | 0.96 | 31 | SO4 |
| 2 | 210 | 0.78 | 0.92 | 35 | SO4 |
| 3 | 807 | 0.76 | 0.79 | 52 | SO4, EDO |
| 4 | 215 | 0.53 | 0.77 | 34 | empty |
| 5 | 193 | 0.50 | 0.76 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 2209 Ų buried · 32 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 modified (engineered).
Compared structures
- 2GAN · Crystal Structure of a Putative Acetyltransferase from Pyrococcus horikoshii, Northeast… · the same entry in another collection · chain B against B, 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
- Elsewhere: RCSB PDB 2GAN · PDBe 2GAN
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