Research workbench
Crystal structure of hypothetical protein SAV0944 from staphylococcus aureus subsp. aureus MU50
Analyse Crystal structure of hypothetical protein SAV0944 from staphylococcus aureus… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4M20
- Type
- protein
- Length
- 483 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uncharacterized protein
- UniProt
- Q99VD7
- Ligands
- COA
- Pockets
- 5 · best druggability 0.75
Structure
x-ray diffraction · 3 distinct chains · 22% helix, 49% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Uncharacterized protein | protein | 121 | 22% helix, 48% strand | Q99VD7 |
| B, C | Uncharacterized protein | protein | 121 | 21% helix, 50% strand | Q99VD7 |
| D | Uncharacterized protein | protein | 120 | 21% helix, 48% strand | Q99VD7 |
Ligands and binding sites
- COA · Coenzyme A · ligand · 2 copies · chains A, B, D, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 520 | 0.75 | 0.83 | 81 | COA |
| 2 | 310 | 0.68 | 0.82 | 46 | COA |
| 3 | 263 | 0.63 | 0.81 | 41 | empty |
| 4 | 74 | 0.41 | 0.80 | 14 | empty |
| 5 | 91 | 0.40 | 0.77 | 18 | empty |
Interfaces
6 interfaces between chains.
- C–D · 1323 Ų buried · 21 hydrogen bonds · protein-protein
- A–B · 1226 Ų buried · 21 hydrogen bonds · protein-protein
- B–C · 557 Ų buried · 16 hydrogen bonds · protein-protein
- A–D · 540 Ų buried · 16 hydrogen bonds · protein-protein
- B–D · 297 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 4M20 · Crystal Structure of hypothetical protein SAV0944 from Staphylococcus aureus subsp.… · 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 Q99VD7
- Elsewhere: RCSB PDB 4M20 · PDBe 4M20 · UniProt Q99VD7
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