Research workbench
1.82 Angstrom resolution crystal structure of holo-(acyl-carrier-protein) synthase (acpS) from Staphylococcus aureus
Analyse 1.82 Angstrom resolution crystal structure of holo-(acyl-carrier-protein)… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4JM7
- Type
- protein
- Length
- 360 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.824
- Source
- Staphylococcus aureus
- Molecule
- Holo-[acyl-carrier-protein] synthase
- EC
- 2.7.8.7
- UniProt
- Q5HED0
- Pockets
- 5 · best druggability 0.56
Structure
x-ray diffraction · resolution 1.824 · 3 distinct chains · 44% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Holo-[acyl-carrier-protein] synthase (EC 2.7.8.7) | protein | 122 | 45% helix, 29% strand | Q5HED0 |
| B | Holo-[acyl-carrier-protein] synthase (EC 2.7.8.7) | protein | 116 | 44% helix, 28% strand | Q5HED0 |
| C | Holo-[acyl-carrier-protein] synthase (EC 2.7.8.7) | protein | 122 | 43% helix, 27% strand | Q5HED0 |
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 327 | 0.56 | 0.76 | 39 | empty |
| 2 | 224 | 0.49 | 0.75 | 32 | empty |
| 3 | 106 | 0.38 | 0.75 | 18 | empty |
| 4 | 76 | 0.35 | 0.76 | 22 | empty |
| 5 | 54 | 0.32 | 0.77 | 16 | empty |
Interfaces
3 interfaces between chains.
- B–C · 941 Ų buried · 14 hydrogen bonds · protein-protein
- A–B · 791 Ų buried · 12 hydrogen bonds · protein-protein
- A–C · 786 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 4JM7 · 1.82 ångström resolution crystal structure of holo-(acyl-carrier- protein) synthase… · the same entry in another collection · chain A against A, TM-score 1.00
- Q5HED0 · AlphaFold monomer V2.0 prediction for holo-[acyl-carrier-protein] synthase (Q5HED0) · a predicted model of the same protein · chain B against A, TM-score 0.95
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 Q5HED0
- Elsewhere: RCSB PDB 4JM7 · PDBe 4JM7 · UniProt Q5HED0
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