MolNFT v1 · #114279 · protein
Apo structure of cysteine desulfurase from thermococcus onnurineus NA1 at 1.89A
5B7U: “Apo structure of cysteine desulfurase from thermococcus onnurineus NA1 at 1.89A”. X-ray diffraction, 1 ligand (CYS), 5 pockets (best druggability 0.67). MolNFT v1 #114279 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5B7U
- Type
- protein
- Length
- 802 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cysteine desulfurase
- EC
- 2.8.1.7
- UniProt
- B6YT87
- Ligands
- CYS
- Pockets
- 5 · best druggability 0.67
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cysteine desulfurase (EC 2.8.1.7) | protein | 402 | 44% helix, 16% strand | B6YT87 |
| B | Cysteine desulfurase (EC 2.8.1.7) | protein | 400 | 44% helix, 16% strand | B6YT87 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 278 | 0.67 | 0.83 | 34 | empty |
| 2 | 246 | 0.65 | 0.83 | 28 | IPA |
| 3 | 279 | 0.62 | 0.80 | 27 | empty |
| 4 | 62 | 0.42 | 0.81 | 16 | empty |
| 5 | 85 | 0.40 | 0.78 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 3615 Ų buried · 83 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified (cofactor, oxidation).
Compared structures
- 5B7U · Apo Structure of Cysteine Desulfurase from Thermococcus onnurineus NA1 at 1.89A · 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 B6YT87
- Elsewhere: RCSB PDB 5B7U · PDBe 5B7U · UniProt B6YT87
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