MolNFT v1 · #31045 · protein
Crystal structure of acyl-CoA transferase (ydif) apoenzyme from escherichia COLI O157:H7.
2AHU · Putative enzyme ydif: “Crystal structure of acyl-CoA transferase (ydif) apoenzyme from escherichia COLI O157:H7.”. X-ray diffraction, 18 pockets (best druggability 0.82). MolNFT v1 #31045 on GenesisL1: 3D structure, binding sites…
- PDB
- 2AHU
- Type
- protein
- Length
- 2,060 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative enzyme ydif
- EC
- 2.8.3.-
- UniProt
- Q8X5X6
- Pockets
- 18 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 22% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Putative enzyme ydif (EC 2.8.3.-) | protein | 515 | 22% helix, 28% strand | Q8X5X6 |
Pockets
18 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 186 | 0.82 | 0.97 | 37 | empty |
| 2 | 161 | 0.80 | 0.96 | 36 | empty |
| 3 | 522 | 0.79 | 0.86 | 76 | empty |
| 4 | 572 | 0.78 | 0.84 | 74 | empty |
| 5 | 402 | 0.77 | 0.87 | 74 | empty |
Interfaces
6 interfaces between chains.
- A–D · 2684 Ų buried · 33 hydrogen bonds · protein-protein
- B–C · 2639 Ų buried · 37 hydrogen bonds · protein-protein
- A–C · 767 Ų buried · 7 hydrogen bonds · protein-protein
- B–D · 749 Ų buried · 6 hydrogen bonds · protein-protein
- C–D · 15 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 40 modified (engineered).
Compared structures
- 2AHU · Crystal structure of Acyl-CoA transferase (YdiF) apoenzyme from Escherichia coli O157:H7. · the same entry in another collection · chain B against B, TM-score 1.00
- Q8X5X6 · AlphaFold monomer V2.0 prediction for acetate CoA-transferase ydif (Q8X5X6) · a predicted model of the same protein · chain A 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 Q8X5X6
- Elsewhere: RCSB PDB 2AHU · PDBe 2AHU · UniProt Q8X5X6
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