Research workbench
Crystal structure of the complex between the gnat domain of S. lividans pat and the acetyl-CoA synthetase C-terminal domain of S. enterica
Analyse Crystal structure of the complex between the gnat domain of S. lividans pat and… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4U5Y
- Type
- protein
- Length
- 280 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acyl-CoA synthetase; Acetyl-coenzyme a synthetase
- EC
- 6.2.1.1
- UniProt
- D6EP29, V1Q8H8
- Ligands
- SO4
- Pockets
- 3 · best druggability 0.55
Structure
x-ray diffraction · 2 distinct chains · 37% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Acyl-CoA synthetase | protein | 165 | 34% helix, 32% strand | D6EP29 |
| D | Acetyl-coenzyme a synthetase (EC 6.2.1.1) | protein | 115 | 41% helix, 23% strand | V1Q8H8 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 126 | 0.55 | 0.83 | 22 | SO4 |
| 2 | 168 | 0.42 | 0.73 | 26 | empty |
| 3 | 56 | 0.26 | 0.73 | 15 | SO4 |
Interfaces
1 interface between chains.
- A–D · 975 Ų buried · 21 hydrogen bonds · protein-protein
Compared structures
- 4U5Y · Crystal Structure of the complex between the GNAT domain of S. lividans PAT and the… · 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 D6EP29
- Every structure of UniProt V1Q8H8
- Elsewhere: RCSB PDB 4U5Y · PDBe 4U5Y · UniProt D6EP29 · UniProt V1Q8H8
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