MolNFT v2 · #222980 · protein
E. coli cysteine desulfurase SufS bound to SufE C51A
8VBS: “E. coli cysteine desulfurase SufS bound to SufE C51A”. X-ray diffraction at 3.31, 9 pockets (best druggability 0.79). MolNFT v2 #222980 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 8VBS
- Type
- protein
- Length
- 1,071 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 3.31
- Source
- Escherichia coli
- Molecule
- Cysteine desulfurase; Cysteine desulfuration protein SufE
- EC
- 2.8.1.7
- UniProt
- P77444, J7Q7S7
- Pockets
- 9 · best druggability 0.79
Structure
x-ray diffraction · resolution 3.31 · 3 distinct chains · 46% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Cysteine desulfurase (EC 2.8.1.7) | protein | 404 | 42% helix, 17% strand | P77444 |
| C | Cysteine desulfuration protein SufE | protein | 132 | 51% helix, 12% strand | J7Q7S7 |
| D | Cysteine desulfuration protein SufE | protein | 131 | 51% helix, 12% strand | J7Q7S7 |
Pockets
9 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1099 | 0.79 | 0.81 | 99 | empty |
| 2 | 856 | 0.77 | 0.80 | 76 | empty |
| 3 | 52 | 0.70 | 0.98 | 19 | empty |
| 4 | 98 | 0.66 | 0.90 | 28 | empty |
| 5 | 218 | 0.49 | 0.75 | 26 | empty |
Interfaces
5 interfaces between chains.
- A–B · 3318 Ų buried · 56 hydrogen bonds · protein-protein
- A–C · 624 Ų buried · 8 hydrogen bonds · protein-protein
- B–D · 602 Ų buried · 7 hydrogen bonds · protein-protein
- C–B · 359 Ų buried · 3 hydrogen bonds · protein-protein
- A–D · 155 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified (cofactor, oxidation).
Compared structures
- P77444 · AlphaFold monomer V2.0 prediction for cysteine desulfurase (P77444) · a predicted model of the same protein · 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 P77444
- Every structure of UniProt J7Q7S7
- Elsewhere: RCSB PDB 8VBS · PDBe 8VBS · UniProt P77444 · UniProt J7Q7S7
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