MolNFT v1 · #37494 · protein
Crystal structure of coenzyme a transferase from pseudomonas aeruginosa
2G39 · Acetyl-CoA hydrolase: “Crystal structure of coenzyme a transferase from pseudomonas aeruginosa”. X-ray diffraction, 11 pockets (best druggability 0.79). MolNFT v1 #37494 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2G39
- Type
- protein
- Length
- 989 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acetyl-CoA hydrolase
- UniProt
- Q9HTC2
- Pockets
- 11 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 34% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Acetyl-CoA hydrolase | protein | 495 | 34% helix, 21% strand | Q9HTC2 |
| B | Acetyl-CoA hydrolase | protein | 494 | 34% helix, 21% strand | Q9HTC2 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 135 | 0.79 | 0.97 | 27 | ACY |
| 2 | 125 | 0.79 | 0.97 | 29 | ACY |
| 3 | 110 | 0.78 | 0.98 | 41 | EDO |
| 4 | 509 | 0.72 | 0.81 | 59 | ACY |
| 5 | 496 | 0.70 | 0.80 | 61 | ACY |
Interfaces
1 interface between chains.
- A–B · 3438 Ų buried · 51 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 28 modified (engineered).
Compared structures
- 2G39 · Crystal structure of coenzyme A transferase from Pseudomonas aeruginosa · 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 Q9HTC2
- Elsewhere: RCSB PDB 2G39 · PDBe 2G39 · UniProt Q9HTC2
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