Research workbench
Crystal structure of enolase PRK14017 (target efi-500653) from ralstonia pickettii 12J
Analyse Crystal structure of enolase PRK14017 (target efi-500653) from ralstonia… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3RR1
- Type
- protein
- Length
- 748 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative D-galactonate dehydratase
- EC
- 4.2.1.6
- UniProt
- B2UCA8
- Ligands
- MLT, CL
- Pockets
- 7 · best druggability 0.85
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative D-galactonate dehydratase (EC 4.2.1.6) | protein | 372 | 42% helix, 17% strand | B2UCA8 |
| B | Putative D-galactonate dehydratase (EC 4.2.1.6) | protein | 376 | 41% helix, 17% strand | B2UCA8 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 769 | 0.85 | 0.88 | 57 | empty |
| 2 | 302 | 0.53 | 0.74 | 36 | empty |
| 3 | 196 | 0.52 | 0.78 | 23 | empty |
| 4 | 136 | 0.42 | 0.75 | 23 | empty |
| 5 | 104 | 0.39 | 0.76 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 2164 Ų buried · 30 hydrogen bonds · protein-protein
Compared structures
- 3RR1 · Crystal structure of enolase PRK14017 (target EFI-500653) from Ralstonia pickettii 12J · the same entry in another collection · chain A against A, TM-score 1.00
- B2UCA8 · AlphaFold monomer V2.0 prediction for D-galactonate dehydratase (B2UCA8) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 B2UCA8
- Elsewhere: RCSB PDB 3RR1 · PDBe 3RR1 · UniProt B2UCA8
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