MolNFT v1 · #51564 · protein
Beta-ketoacyl-acp synthase I (kas) from E. COLI, apo structure after soak in peg solution
2VB7 · 3-oxoacyl-[acyl-carrier-protein] synthase 1: “Beta-ketoacyl-acp synthase I (kas) from E. COLI, apo structure after soak in peg solution”. X-ray diffraction, 10 pockets (best druggability 0.76). MolNFT v1 #51564 on GenesisL1: 3D…
- PDB
- 2VB7
- Type
- protein
- Length
- 1,618 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3-oxoacyl-[acyl-carrier-protein] synthase 1
- EC
- 2.3.1.41
- UniProt
- P0A953
- Pockets
- 10 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 37% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, D | 3-oxoacyl-[acyl-carrier-protein] synthase 1 (EC 2.3.1.41) | protein | 404 | 37% helix, 22% strand | P0A953 |
| C | 3-oxoacyl-[acyl-carrier-protein] synthase 1 (EC 2.3.1.41) | protein | 406 | 37% helix, 22% strand | P0A953 |
Pockets
10 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 253 | 0.76 | 0.89 | 47 | empty |
| 2 | 176 | 0.71 | 0.89 | 47 | empty |
| 3 | 133 | 0.63 | 0.87 | 31 | empty |
| 4 | 149 | 0.60 | 0.84 | 35 | empty |
| 5 | 169 | 0.48 | 0.77 | 33 | empty |
Interfaces
5 interfaces between chains.
- A–B · 3024 Ų buried · 49 hydrogen bonds · protein-protein
- C–D · 2980 Ų buried · 53 hydrogen bonds · protein-protein
- A–C · 245 Ų buried · 0 hydrogen bonds · protein-protein
- A–D · 121 Ų buried · 1 hydrogen bond · protein-protein
- B–C · 118 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 1 modified (oxidation).
Compared structures
- 2VB7 · beta-ketoacyl-ACP synthase I (KAS) from E. coli, apo structure after soak in PEG solution · the same entry in another collection · chain D against D, TM-score 1.00
- P0A953 · AlphaFold monomer V2.0 prediction for 3-oxoacyl-[acyl-carrier- protein] synthase 1… · a predicted model of the same protein · chain D 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 P0A953
- Elsewhere: RCSB PDB 2VB7 · PDBe 2VB7 · UniProt P0A953
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.