MolNFT v1 · #92521 · protein
Crystal structure of acyl-acp thioesterase from spirosoma linguale
4GAK: “Crystal structure of acyl-acp thioesterase from spirosoma linguale”. X-ray diffraction, 1 ligand (CL), 2 pockets (best druggability 0.67). MolNFT v1 #92521 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4GAK
- Type
- protein
- Length
- 250 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acyl-acp thioesterase
- UniProt
- D2QU30
- Ligands
- CL
- Pockets
- 2 · best druggability 0.67
Structure
x-ray diffraction · 1 distinct chain · 22% helix, 40% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Acyl-acp thioesterase | protein | 250 | 22% helix, 40% strand | D2QU30 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 301 | 0.67 | 0.82 | 36 | GOL |
| 2 | 142 | 0.52 | 0.80 | 19 | empty |
Modifications
Observed in the structure: 9 modified (engineered).
Compared structures
- 4GAK · Crystal structure of acyl-ACP thioesterase from Spirosoma linguale · 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 D2QU30
- Elsewhere: RCSB PDB 4GAK · PDBe 4GAK · UniProt D2QU30
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