MolNFT v1 · #35434 · protein
Crystal structure of 3-oxoacyl-[acyl-carrier-protein] synthase III from aquifex aeolicus VF5
2EBD · 3-oxoacyl-[acyl-carrier-protein] synthase 3: “Crystal structure of 3-oxoacyl-[acyl-carrier-protein] synthase III from aquifex aeolicus VF5”. X-ray diffraction, 5 pockets (best druggability 0.73). MolNFT v1 #35434 on GenesisL1: 3D…
- PDB
- 2EBD
- Type
- protein
- Length
- 617 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3-oxoacyl-[acyl-carrier-protein] synthase 3
- EC
- 2.3.1.41
- UniProt
- O67185
- Pockets
- 5 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 3-oxoacyl-[acyl-carrier-protein] synthase 3 (EC 2.3.1.41) | protein | 309 | 40% helix, 28% strand | O67185 |
| B | 3-oxoacyl-[acyl-carrier-protein] synthase 3 (EC 2.3.1.41) | protein | 308 | 42% helix, 27% strand | O67185 |
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 | 228 | 0.73 | 0.88 | 38 | empty |
| 2 | 252 | 0.72 | 0.86 | 40 | empty |
| 3 | 218 | 0.59 | 0.81 | 37 | empty |
| 4 | 104 | 0.41 | 0.77 | 26 | empty |
| 5 | 93 | 0.40 | 0.77 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 2046 Ų buried · 35 hydrogen bonds · protein-protein
Compared structures
- 2EBD · Crystal structure of 3-oxoacyl-[acyl-carrier-protein] synthase III from Aquifex aeolicus… · the same entry in another collection · chain B against B, TM-score 1.00
- O67185 · AlphaFold monomer V2.0 prediction for 3-oxoacyl-[acyl-carrier- protein] synthase 3… · a predicted model of the same protein · chain B 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 O67185
- Elsewhere: RCSB PDB 2EBD · PDBe 2EBD · UniProt O67185
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