Research workbench
Hydroxymandelate synthase crystal structure
Analyse Hydroxymandelate synthase crystal structure in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2R5V
- Type
- protein
- Length
- 676 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- PCZA361.1
- EC
- 1.13.11.46
- UniProt
- O52791
- Ligands
- HHH, CO, PO4
- Pockets
- 10 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 27% helix, 37% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | PCZA361.1 (EC 1.13.11.46) | protein | 346 | 26% helix, 36% strand | O52791 |
| B | PCZA361.1 (EC 1.13.11.46) | protein | 330 | 29% helix, 38% strand | O52791 |
Ligands and binding sites
- HHH · (2S)-hydroxy(4-hydroxyphenyl)ethanoic acid · ligand · 2 copies · chains A, B
- CO · Cobalt (II) ion · metal · 2 copies · chains A, B
- PO4 · Phosphate ion · ion · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 871 | 0.78 | 0.81 | 64 | empty |
| 2 | 57 | 0.74 | 0.99 | 20 | HHH |
| 3 | 164 | 0.62 | 0.84 | 25 | empty |
| 4 | 141 | 0.60 | 0.84 | 24 | empty |
| 5 | 240 | 0.60 | 0.80 | 32 | empty |
Interfaces
1 interface between chains.
- A–B · 395 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
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 O52791
- Elsewhere: RCSB PDB 2R5V · PDBe 2R5V · UniProt O52791
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