MolNFT v1 · #26298 · protein
Crystal structure of O-phosphoserine sulfhydrylase
1WKV · Cysteine synthase: “Crystal structure of O-phosphoserine sulfhydrylase”. X-ray diffraction, 1 ligand (PLP), 9 pockets (best druggability 0.74). MolNFT v1 #26298 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1WKV
- Type
- protein
- Length
- 765 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cysteine synthase
- EC
- 2.5.1.-
- UniProt
- Q9YBL2
- Ligands
- PLP
- Pockets
- 9 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cysteine synthase (EC 2.5.1.-) | protein | 382 | 45% helix, 19% strand | Q9YBL2 |
| B | Cysteine synthase (EC 2.5.1.-) | protein | 383 | 44% helix, 19% strand | Q9YBL2 |
Ligands and binding sites
- PLP · Pyridoxal-5'-phosphate · ligand · 2 copies · chains A, B
- ACT · Acetate ion · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 53 | 0.74 | 0.99 | 19 | empty |
| 2 | 262 | 0.70 | 0.85 | 48 | ACT, PLP |
| 3 | 274 | 0.69 | 0.84 | 47 | ACT, PLP |
| 4 | 341 | 0.62 | 0.78 | 35 | empty |
| 5 | 275 | 0.57 | 0.77 | 30 | empty |
Interfaces
1 interface between chains.
- A–B · 2621 Ų buried · 19 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 cofactor, 2 disulfide (pyridoxal phosphate Schiff base, disulfide).
Compared structures
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 Q9YBL2
- Elsewhere: RCSB PDB 1WKV · PDBe 1WKV · UniProt Q9YBL2
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