Research workbench
Crystal structure of the streptomyces coelicolor holo- [acyl-carrier-protein] synthase (acps) at 2 a.
Analyse Crystal structure of the streptomyces coelicolor 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
- 2JCA
- Type
- protein
- Length
- 369 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Holo-[acyl-carrier-protein] synthase
- EC
- 2.7.8.7
- UniProt
- O86785
- Ligands
- NA, SO4
- Pockets
- 4 · best druggability 0.51
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Holo-[acyl-carrier-protein] synthase (EC 2.7.8.7) | protein | 123 | 41% helix, 32% strand | O86785 |
Ligands and binding sites
- NA · Sodium ion · metal · chains A
- SO4 · Sulfate ion · ion · 3 copies · chains A, B, C
- GOL · Glycerol · additive · chains A, 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 223 | 0.51 | 0.76 | 36 | GOL, SO4 |
| 2 | 177 | 0.46 | 0.75 | 33 | SO4 |
| 3 | 119 | 0.44 | 0.77 | 29 | SO4 |
| 4 | 82 | 0.34 | 0.75 | 13 | empty |
Interfaces
3 interfaces between chains.
- A–C · 826 Ų buried · 9 hydrogen bonds · protein-protein
- B–C · 782 Ų buried · 10 hydrogen bonds · protein-protein
- A–B · 776 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 2JCA · Crystal structure of the streptomyces coelicolor holo- [Acyl-carrier-protein] Synthase… · the same entry in another collection · chain A against A, TM-score 1.00
- O86785 · AlphaFold monomer V2.0 prediction for holo-[acyl-carrier-protein] synthase (O86785) · 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 O86785
- Elsewhere: RCSB PDB 2JCA · PDBe 2JCA · UniProt O86785
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