MolNFT v1 · #121862 · protein
Crystal structure of a cysteine synthase from brucella suis
5I7W · Cysteine synthase a: “Crystal structure of a cysteine synthase from brucella suis”. X-ray diffraction, 5 pockets (best druggability 0.80). MolNFT v1 #121862 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5I7W
- Type
- protein
- Length
- 677 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cysteine synthase a
- EC
- 2.5.1.47
- UniProt
- A0A0H3G350
- Pockets
- 5 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cysteine synthase a (EC 2.5.1.47) | protein | 339 | 45% helix, 17% strand | A0A0H3G350 |
| B | Cysteine synthase a (EC 2.5.1.47) | protein | 338 | 44% helix, 16% strand | A0A0H3G350 |
Ligands and binding sites
- MLI · Malonate ion · additive · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 726 | 0.80 | 0.84 | 78 | MLI |
| 2 | 50 | 0.69 | 0.97 | 17 | empty |
| 3 | 372 | 0.63 | 0.79 | 41 | MLI |
| 4 | 184 | 0.51 | 0.77 | 26 | empty |
| 5 | 51 | 0.26 | 0.73 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 2316 Ų buried · 25 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (cofactor).
Compared structures
- 5I7W · Crystal Structure of a Cysteine Synthase from Brucella suis · 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 A0A0H3G350
- Elsewhere: RCSB PDB 5I7W · PDBe 5I7W · UniProt A0A0H3G350
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