Research workbench
Crystal structure of the mutant F44R BH1408 protein from bacillus halodurans, northeast structural genomics consortium (nesg) target BHR182
Analyse Crystal structure of the mutant F44R BH1408 protein from bacillus halodurans… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4E0A
- Type
- protein
- Length
- 314 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- BH1408 protein
- UniProt
- Q9KD11
- Ligands
- PO4
- Pockets
- 3 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | BH1408 protein | protein | 157 | 36% helix, 36% strand | Q9KD11 |
Ligands and binding sites
- PO4 · Phosphate ion · ion · 2 copies · chains A, B
- GOL · Glycerol · additive · 2 copies · chains A, B
- ACY · Acetic acid · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 544 | 0.70 | 0.79 | 63 | ACY, PO4 |
| 2 | 486 | 0.69 | 0.79 | 52 | GOL, PO4 |
| 3 | 97 | 0.38 | 0.76 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 2540 Ų buried · 48 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 modified (engineered).
Compared structures
- 4E0A · Crystal Structure of the mutant F44R BH1408 protein from Bacillus halodurans, Northeast… · 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 Q9KD11
- Elsewhere: RCSB PDB 4E0A · PDBe 4E0A · UniProt Q9KD11
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