MolNFT v1 · #166699 · protein
E. COLI cysteine desulfurase sufs with a spontaneously rotated beta- hairpin
6UY5: “E. COLI cysteine desulfurase sufs with a spontaneously rotated beta- hairpin”. X-ray diffraction, 1 ligand (PLP), 5 pockets (best druggability 0.88). MolNFT v1 #166699 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6UY5
- Type
- protein
- Length
- 804 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cysteine desulfurase
- EC
- 2.8.1.7, 4.4.1.16
- UniProt
- P77444
- Ligands
- PLP
- Pockets
- 5 · best druggability 0.88
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Cysteine desulfurase (EC 2.8.1.7, 4.4.1.16) | protein | 402 | 43% helix, 19% strand | P77444 |
Ligands and binding sites
- PLP · Pyridoxal-5'-phosphate · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 767 | 0.88 | 0.92 | 94 | PLP |
| 2 | 342 | 0.76 | 0.87 | 59 | PLP |
| 3 | 50 | 0.39 | 0.82 | 13 | empty |
| 4 | 64 | 0.30 | 0.74 | 13 | empty |
| 5 | 63 | 0.27 | 0.73 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 3246 Ų buried · 56 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 cofactor, 2 modified (pyridoxal phosphate Schiff base, oxidation).
Compared structures
- 6UY5 · E. coli cysteine desulfurase SufS with a spontaneously rotated beta-hairpin · the same entry in another collection · chain A against A, TM-score 1.00
- P77444 · AlphaFold monomer V2.0 prediction for cysteine desulfurase (P77444) · 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 P77444
- Elsewhere: RCSB PDB 6UY5 · PDBe 6UY5 · UniProt P77444
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