MolNFT v1 · #40191 · protein
Crystal structure of human peroxisomal acetyl-CoA acyl transferase 1 (ACAA1)
2IIK · 3-ketoacyl-CoA thiolase, peroxisomal: “Crystal structure of human peroxisomal acetyl-CoA acyl transferase 1 (ACAA1)”. X-ray diffraction, 9 pockets (best druggability 0.57). MolNFT v1 #40191 on GenesisL1: 3D structure, binding sites…
- PDB
- 2IIK
- Type
- protein
- Length
- 786 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3-ketoacyl-CoA thiolase, peroxisomal
- EC
- 2.3.1.16
- UniProt
- P09110
- Pockets
- 9 · best druggability 0.57
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 3-ketoacyl-CoA thiolase, peroxisomal (EC 2.3.1.16) | protein | 386 | 42% helix, 23% strand | P09110 |
| B | 3-ketoacyl-CoA thiolase, peroxisomal (EC 2.3.1.16) | protein | 400 | 39% helix, 23% strand | P09110 |
Pockets
9 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 278 | 0.57 | 0.77 | 46 | empty |
| 2 | 272 | 0.56 | 0.77 | 36 | empty |
| 3 | 102 | 0.35 | 0.74 | 23 | empty |
| 4 | 74 | 0.34 | 0.75 | 18 | empty |
| 5 | 94 | 0.33 | 0.73 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 2619 Ų buried · 47 hydrogen bonds · protein-protein
Compared structures
- 2IIK · Crystal Structure of human peroxisomal acetyl-CoA acyl transferase 1 (ACAA1) · the same entry in another collection · chain B against B, TM-score 1.00
- P09110 · AlphaFold monomer V2.0 prediction for 3-ketoacyl-CoA thiolase, peroxisomal (P09110) · a predicted model of the same protein · 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 P09110
- Elsewhere: RCSB PDB 2IIK · PDBe 2IIK · UniProt P09110
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