MolNFT v1 · #41060 · protein
Structure of O-acetylserine sulfhydrylase B from salmonella typhimurium
2JC3: “Structure of O-acetylserine sulfhydrylase B from salmonella typhimurium”. X-ray diffraction, 1 ligand (PLP), 20 pockets (best druggability 0.79). MolNFT v1 #41060 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2JC3
- Type
- protein
- Length
- 2,344 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- O-acetylserine sulfhydrylase B
- UniProt
- P29848
- Ligands
- PLP
- Pockets
- 20 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H | O-acetylserine sulfhydrylase B | protein | 293 | 43% helix, 19% strand | P29848 |
Ligands and binding sites
- PLP · Pyridoxal-5'-phosphate · ligand · 8 copies · chains A, B, C, D, E, F, G, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1087 | 0.79 | 0.81 | 81 | empty |
| 2 | 790 | 0.79 | 0.83 | 111 | PLP |
| 3 | 850 | 0.78 | 0.81 | 108 | PLP |
| 4 | 667 | 0.76 | 0.81 | 87 | empty |
| 5 | 904 | 0.76 | 0.79 | 73 | empty |
Interfaces
9 interfaces between chains.
- C–D · 1702 Ų buried · 23 hydrogen bonds · protein-protein
- A–B · 1694 Ų buried · 21 hydrogen bonds · protein-protein
- E–F · 1690 Ų buried · 23 hydrogen bonds · protein-protein
- G–H · 1675 Ų buried · 21 hydrogen bonds · protein-protein
- F–H · 736 Ų buried · 21 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 cofactor (pyridoxal phosphate Schiff base).
Compared structures
- 2JC3 · Structure of O-Acetylserine Sulfhydrylase B from Salmonella Typhimurium · the same entry in another collection · chain H against H, TM-score 1.00
- P29848 · AlphaFold monomer V2.0 prediction for cysteine synthase B (P29848) · a predicted model of the same protein · chain E against A, TM-score 0.99
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 P29848
- Elsewhere: RCSB PDB 2JC3 · PDBe 2JC3 · UniProt P29848
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