Research workbench
Crystal structure of staphylococcus aureus MECR1 antibiotic-sensor domain in complex with avibactam
Analyse Crystal structure of staphylococcus aureus MECR1 antibiotic-sensor domain in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6O9S
- Type
- protein
- Length
- 246 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Methicillin resistance MECR1 protein
- UniProt
- P0A0B1
- Ligands
- NXL, SO4
- Pockets
- 1 · best druggability 0.39
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Methicillin resistance MECR1 protein | protein | 246 | 37% helix, 26% strand | P0A0B1 |
Ligands and binding sites
- NXL · (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide · ligand · chains A
- SO4 · Sulfate ion · ion · 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 118 | 0.39 | 0.75 | 26 | NXL |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 6O9S · Crystal structure of Staphylococcus aureus MecR1 antibiotic-sensor domain in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
- P0A0B1 · AlphaFold monomer V2.0 prediction for methicillin resistance MECR1 protein (P0A0B1) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P0A0B1
- Elsewhere: RCSB PDB 6O9S · PDBe 6O9S · UniProt P0A0B1
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