Research workbench
Crystal structure of transcriptional COACTIVATOR/PTERIN dehydratase from brucella melitensis
Analyse Crystal structure of transcriptional COACTIVATOR/PTERIN dehydratase from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3JST
- Type
- protein
- Length
- 191 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative pterin-4-alpha-carbinolamine dehydratase
- EC
- 4.2.1.96
- UniProt
- P65722
- Pockets
- 1 · best druggability 0.47
Structure
x-ray diffraction · 2 distinct chains · 45% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative pterin-4-alpha-carbinolamine dehydratase (EC 4.2.1.96) | protein | 97 | 45% helix, 22% strand | P65722 |
| B | Putative pterin-4-alpha-carbinolamine dehydratase (EC 4.2.1.96) | protein | 94 | 44% helix, 22% strand | P65722 |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 77 | 0.47 | 0.83 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 380 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 3JST · Crystal structure of transcriptional coactivator/pterin dehydratase from Brucella… · the same entry in another collection · chain A against A, TM-score 1.00
- P65722 · AlphaFold monomer V2.0 prediction for putative pterin-4-alpha- carbinolamine dehydratase… · a predicted model of the same protein · chain B against A, TM-score 0.98
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 P65722
- Elsewhere: RCSB PDB 3JST · PDBe 3JST · UniProt P65722
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