Research workbench
Crystal structure of the probable 3-dhs dehydratase asbf involved in the petrobactin synthesis from bacillus anthracis
Analyse Crystal structure of the probable 3-dhs dehydratase asbf involved in the… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3DX5
- Type
- protein
- Length
- 274 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uncharacterized protein asbf
- UniProt
- Q81RQ4
- Ligands
- DHB, MN, CL
- Pockets
- 2 · best druggability 0.38
Structure
x-ray diffraction · 1 distinct chain · 52% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Uncharacterized protein asbf | protein | 274 | 52% helix, 16% strand | Q81RQ4 |
Ligands and binding sites
- DHB · 3,4-dihydroxybenzoic acid · ligand · chains A
- MN · Manganese (II) ion · metal · chains A
- CL · Chloride ion · ion · chains A
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 87 | 0.38 | 0.76 | 16 | empty |
| 2 | 50 | 0.35 | 0.79 | 13 | empty |
Modifications
Observed in the structure: 7 modified (engineered).
Compared structures
- 3DX5 · Crystal structure of the probable 3-DHS dehydratase AsbF involved in the petrobactin… · the same entry in another collection · chain A against A, TM-score 1.00
- Q81RQ4 · AlphaFold monomer V2.0 prediction for 3-dehydroshikimate dehydratase (Q81RQ4) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 Q81RQ4
- Elsewhere: RCSB PDB 3DX5 · PDBe 3DX5 · UniProt Q81RQ4
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