MolNFT v1 · #142507 · protein
Crystal structure of thermostable cysteine desulfurase (fisufs) from thermophilic fervidobacterium islandicum aw-1
6A6E: “Crystal structure of thermostable cysteine desulfurase (fisufs) from thermophilic fervidobacterium islandicum…”. X-ray diffraction, 1 ligand (PLP), 12 pockets (best druggability 0.83). MolNFT v1 #142507 on GenesisL1: 3D structure…
- PDB
- 6A6E
- Type
- protein
- Length
- 1,688 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cysteine desulfurase
- EC
- 2.8.1.7
- UniProt
- A0A1B0VPZ3
- Ligands
- PLP
- Pockets
- 12 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Cysteine desulfurase (EC 2.8.1.7) | protein | 422 | 44% helix, 17% strand | A0A1B0VPZ3 |
Ligands and binding sites
- PLP · Pyridoxal-5'-phosphate · ligand · 4 copies · chains A, B, C, D
- PEG · Di(hydroxyethyl)ether · additive · 11 copies · chains A, B, C
- GOL · Glycerol · additive · 10 copies · chains A, B, C, D
- CIT · Citric acid · additive · 9 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 236 | 0.83 | 0.96 | 55 | GOL, PLP, CIT |
| 2 | 229 | 0.83 | 0.96 | 52 | GOL, PLP, CIT |
| 3 | 333 | 0.81 | 0.91 | 69 | PLP, CIT |
| 4 | 304 | 0.81 | 0.92 | 53 | PLP, CIT, GOL |
| 5 | 72 | 0.34 | 0.76 | 14 | empty |
Interfaces
3 interfaces between chains.
- A–B · 3816 Ų buried · 58 hydrogen bonds · protein-protein
- C–D · 3785 Ų buried · 58 hydrogen bonds · protein-protein
- B–C · 34 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 cofactor, 4 modified (pyridoxal phosphate Schiff base, oxidation).
Compared structures
- 6A6E · Crystal structure of thermostable Cysteine desulfurase (FiSufS) from thermophilic… · 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 A0A1B0VPZ3
- Elsewhere: RCSB PDB 6A6E · PDBe 6A6E · UniProt A0A1B0VPZ3
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