MolNFT v1 · #74509 · protein
1.84 ångström resolution crystal structure of 3-oxoacyl-(acyl carrier protein) synthase I (fabb) from yersinia pestis CO92
3OYT · 3-oxoacyl-[acyl-carrier-protein] synthase I: “1.84 ångström resolution crystal structure of 3-oxoacyl-(acyl carrier protein) synthase I (fabb) from…”. X-ray diffraction, 2 ligands (K, PO4), 4 pockets (best druggability 0.62). MolNFT…
- PDB
- 3OYT
- Type
- protein
- Length
- 805 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3-oxoacyl-[acyl-carrier-protein] synthase I
- UniProt
- Q7CJB1
- Ligands
- K, PO4
- Pockets
- 4 · best druggability 0.62
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 3-oxoacyl-[acyl-carrier-protein] synthase I | protein | 407 | 39% helix, 22% strand | Q7CJB1 |
| B | 3-oxoacyl-[acyl-carrier-protein] synthase I | protein | 398 | 40% helix, 22% strand | Q7CJB1 |
Ligands and binding sites
- K · Potassium ion · metal · 2 copies · chains A, B
- PO4 · Phosphate ion · ion · 3 copies · chains A, B
- PEG · Di(hydroxyethyl)ether · additive · 8 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 4 copies · chains A, B
- PG4 · Tetraethylene glycol · additive · 2 copies · chains B, A
- PGE · Triethylene glycol · 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 407 | 0.62 | 0.77 | 41 | empty |
| 2 | 87 | 0.54 | 0.84 | 20 | empty |
| 3 | 129 | 0.43 | 0.76 | 34 | empty |
| 4 | 125 | 0.42 | 0.76 | 30 | empty |
Interfaces
1 interface between chains.
- A–B · 2970 Ų buried · 41 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 39 modified (engineered).
Compared structures
- 3OYT · 1.84 Angstrom resolution crystal structure of 3-oxoacyl-(acyl carrier protein) synthase I… · 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 Q7CJB1
- Elsewhere: RCSB PDB 3OYT · PDBe 3OYT · UniProt Q7CJB1
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