Research workbench
Crystal structure of the prealnumycin C-glycosynthase alna
Analyse Crystal structure of the prealnumycin C-glycosynthase alna in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4EX8
- Type
- protein
- Length
- 301 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alna
- UniProt
- B6SEG5
- Ligands
- CA, SO4, CL
- Pockets
- 3 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 49% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alna | protein | 301 | 49% helix, 18% strand | B6SEG5 |
Ligands and binding sites
- CA · Calcium ion · metal · 2 copies · chains A
- SO4 · Sulfate ion · ion · chains A
- CL · Chloride ion · ion · chains A
- PEG · Di(hydroxyethyl)ether · additive · 2 copies · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 699 | 0.73 | 0.79 | 64 | empty |
| 2 | 59 | 0.43 | 0.82 | 16 | empty |
| 3 | 58 | 0.39 | 0.80 | 20 | CL |
Compared structures
- 4EX8 · Crystal structure of the prealnumycin C-glycosynthase AlnA · 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 B6SEG5
- Elsewhere: RCSB PDB 4EX8 · PDBe 4EX8 · UniProt B6SEG5
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