MolNFT v1 · #177065 · protein
Crystal structure of pmp-bound form of cysteine desulfurase sufs R376A from bacillus subtilis in D-cycloserine-inhibition
7E6E: “Crystal structure of pmp-bound form of cysteine desulfurase sufs R376A from bacillus subtilis in…”. X-ray diffraction, 1 ligand (PMP), 2 pockets (best druggability 0.47). MolNFT v1 #177065 on GenesisL1: 3D structure, binding sites…
- PDB
- 7E6E
- Type
- protein
- Length
- 412 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cysteine desulfurase sufs
- EC
- 2.8.1.7
- UniProt
- O32164
- Ligands
- PMP
- Pockets
- 2 · best druggability 0.47
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cysteine desulfurase sufs (EC 2.8.1.7) | protein | 412 | 45% helix, 17% strand | O32164 |
Ligands and binding sites
- PMP · 4'-deoxy-4'-aminopyridoxal-5'-phosphate · ligand · chains A
- EDO · 1,2-ethanediol · additive · 6 copies · chains A
- PEG · Di(hydroxyethyl)ether · additive · 4 copies · chains A
- PG4 · Tetraethylene glycol · additive · 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 | 94 | 0.47 | 0.81 | 26 | PMP |
| 2 | 80 | 0.41 | 0.79 | 18 | empty |
Compared structures
- 7E6E · Crystal structure of PMP-bound form of cysteine desulfurase SufS R376A from Bacillus… · the same entry in another collection · chain A against A, TM-score 1.00
- O32164 · AlphaFold monomer V2.0 prediction for cysteine desulfurase sufs (O32164) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 O32164
- Elsewhere: RCSB PDB 7E6E · PDBe 7E6E · UniProt O32164
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