MolNFT v1 · #157188 · protein
E. COLI cysteine desulfurase sufs with a cysteine persulfide intermediate
6MR2: “E. COLI cysteine desulfurase sufs with a cysteine persulfide intermediate”. X-ray diffraction, 1 ligand (PLP), 2 pockets (best druggability 0.47). MolNFT v1 #157188 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6MR2
- Type
- protein
- Length
- 405 residues
- Chains
- 1
- 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
- 2 · best druggability 0.47
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cysteine desulfurase (EC 2.8.1.7, 4.4.1.16) | protein | 405 | 42% helix, 18% strand | P77444 |
Ligands and binding sites
- PLP · Pyridoxal-5'-phosphate · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 85 | 0.47 | 0.81 | 19 | empty |
| 2 | 74 | 0.42 | 0.80 | 25 | PLP |
Modifications
Observed in the structure: 1 cofactor, 1 modified (pyridoxal phosphate Schiff base, oxidation).
Compared structures
- 6MR2 · E. coli cysteine desulfurase SufS with a cysteine persulfide intermediate · 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 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
- Elsewhere: RCSB PDB 6MR2 · PDBe 6MR2 · UniProt P77444
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