Research workbench
Crystal structure of ligand binding domain of lysr family MEMBER,CYSB in complex with sulfate from salmonella typhimurium LT2
Analyse Crystal structure of ligand binding domain of lysr family MEMBER,CYSB in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4GWO
- Type
- protein
- Length
- 478 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hth-type transcriptional regulator cysb
- UniProt
- P06614
- Ligands
- SO4
- Pockets
- 5 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Hth-type transcriptional regulator cysb | protein | 239 | 36% helix, 26% strand | P06614 |
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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 99 | 0.68 | 0.91 | 32 | SO4 |
| 2 | 121 | 0.42 | 0.76 | 22 | empty |
| 3 | 100 | 0.40 | 0.77 | 19 | empty |
| 4 | 57 | 0.29 | 0.75 | 14 | empty |
| 5 | 51 | 0.26 | 0.73 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 1307 Ų buried · 23 hydrogen bonds · protein-protein
Compared structures
- 4GWO · Crystal structure of ligand binding domain of LysR family member,CysB in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
- P06614 · AlphaFold monomer V2.0 prediction for hth-type transcriptional regulator cysb (P06614) · a predicted model of the same protein · chain A against A, TM-score 0.96
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 P06614
- Elsewhere: RCSB PDB 4GWO · PDBe 4GWO · UniProt P06614
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