MolNFT v1 · #171141 · protein
Capsule O-acetyltransferase of neisseria meningitidis serogroup a H228A mutant in complex with CoA
6YUS · Sacc: “Capsule O-acetyltransferase of neisseria meningitidis serogroup a H228A mutant in complex with CoA”. X-ray diffraction, 1 ligand (COA), 4 pockets (best druggability 0.48). MolNFT v1 #171141 on GenesisL1: 3D structure, binding…
- PDB
- 6YUS
- Type
- protein
- Length
- 490 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sacc
- UniProt
- O68216
- Ligands
- COA
- Pockets
- 4 · best druggability 0.48
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Sacc | protein | 245 | 40% helix, 21% strand | O68216 |
Ligands and binding sites
- COA · Coenzyme A · ligand · 2 copies · chains A, B
- PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 215 | 0.48 | 0.75 | 32 | empty |
| 2 | 177 | 0.45 | 0.75 | 31 | COA |
| 3 | 163 | 0.44 | 0.75 | 27 | empty |
| 4 | 58 | 0.25 | 0.72 | 17 | EDO |
Interfaces
1 interface between chains.
- A–B · 897 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (nonstandard).
Compared structures
- 6YUS · Capsule O-acetyltransferase of Neisseria meningitidis serogroup A H228A mutant in complex… · 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 O68216
- Elsewhere: RCSB PDB 6YUS · PDBe 6YUS · UniProt O68216
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.