Research workbench
The crystal structure of a domain of a possible sugar-binding transcriptional regulator from arthrobacter aurescens TC1.
Analyse The crystal structure of a domain of a possible sugar-binding transcriptional… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3NZE
- Type
- protein
- Length
- 518 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative transcriptional regulator, sugar-binding family
- UniProt
- A1R6X9
- Ligands
- CA
- Pockets
- 5 · best druggability 0.65
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative transcriptional regulator, sugar-binding family | protein | 256 | 43% helix, 16% strand | A1R6X9 |
| B | Putative transcriptional regulator, sugar-binding family | protein | 262 | 41% helix, 16% strand | A1R6X9 |
Ligands and binding sites
- CA · Calcium ion · metal · 2 copies · chains 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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 252 | 0.65 | 0.82 | 47 | empty |
| 2 | 283 | 0.63 | 0.80 | 53 | empty |
| 3 | 230 | 0.52 | 0.77 | 31 | empty |
| 4 | 192 | 0.45 | 0.74 | 25 | empty |
| 5 | 58 | 0.26 | 0.72 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 546 Ų buried · 13 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 14 modified (engineered).
Compared structures
- 3NZE · The crystal structure of a domain of a possible sugar-binding transcriptional regulator… · 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 A1R6X9
- Elsewhere: RCSB PDB 3NZE · PDBe 3NZE · UniProt A1R6X9
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