Research workbench
Crystal structure of O-acetylserine sulfhydrylase from haemophilus influenzae in complex with pre-reactive O-acetyl serine, alpha- aminoacrylate reaction intermediate and peptide inhibitor at the resolution of 2.25A
Analyse Crystal structure of O-acetylserine sulfhydrylase from haemophilus influenzae… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4ZU6
- Type
- protein
- Length
- 313 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cysteine synthase; C-terminal peptide from serine acetyltransferase
- EC
- 2.5.1.47
- UniProt
- P45040, P29847
- Ligands
- OAS, PLP
- Pockets
- 2 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| X | Cysteine synthase (EC 2.5.1.47) | protein | 309 | 41% helix, 18% strand | P45040 |
| B | C-terminal peptide from serine acetyltransferase | protein | 4 | 0% helix, 0% strand | P29847 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 111 | 0.77 | 0.97 | 36 | OAS, PLP |
| 2 | 59 | 0.41 | 0.81 | 15 | empty |
Interfaces
1 interface between chains.
- X–B · 483 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 4ZU6 · Crystal Structure of O-Acetylserine Sulfhydrylase from Haemophilus influenzae in complex… · the same entry in another collection · chain X against X, TM-score 1.00
- P45040 · AlphaFold monomer V2.0 prediction for cysteine synthase (P45040) · a predicted model of the same protein · chain X against A, TM-score 0.97
- P29847 · AlphaFold monomer V2.0 prediction for serine acetyltransferase (P29847) · a predicted model of the same protein · chain B against A, TM-score 0.71
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 P45040
- Every structure of UniProt P29847
- Elsewhere: RCSB PDB 4ZU6 · PDBe 4ZU6 · UniProt P45040 · UniProt P29847
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