Research workbench
Crystal structure of a trapped phosphate-intermediate in vanadium apochloroperoxidase catalyzing a dephosphorylation reaction
Analyse Crystal structure of a trapped phosphate-intermediate in vanadium… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3BB0
- Type
- protein
- Length
- 576 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Vanadium chloroperoxidase
- EC
- 1.11.1.10
- UniProt
- P49053
- Ligands
- SO4, PO3
- Pockets
- 7 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Vanadium chloroperoxidase (EC 1.11.1.10) | protein | 576 | 43% helix, 9% strand | P49053 |
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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1070 | 0.79 | 0.81 | 99 | PO3 |
| 2 | 87 | 0.46 | 0.81 | 20 | empty |
| 3 | 100 | 0.40 | 0.77 | 18 | empty |
| 4 | 128 | 0.39 | 0.74 | 26 | empty |
| 5 | 59 | 0.35 | 0.78 | 19 | empty |
Modifications
Observed in the structure: 1 modified (oxidation).
Compared structures
- 3BB0 · Crystal Structure of a Trapped Phosphate-Intermediate in Vanadium Apochloroperoxidase… · the same entry in another collection · chain A against A, TM-score 1.00
- P49053 · AlphaFold monomer V2.0 prediction for vanadium chloroperoxidase (P49053) · a predicted model of the same protein · 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 P49053
- Elsewhere: RCSB PDB 3BB0 · PDBe 3BB0 · UniProt P49053
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