Research workbench
Crystal structure of the complex of goat lactoperoxidase with hypothiocyanite and hydrogen peroxide at 1.79 a resolution.
Analyse Crystal structure of the complex of goat lactoperoxidase with hypothiocyanite… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6LF7
- Type
- protein
- Length
- 595 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Lactoperoxidase
- EC
- 1.11.1.7
- UniProt
- A0A452E9Y6
- Ligands
- OSM, HEM, PEO, NAG, CA, IOD, SCN
- Pockets
- 10 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Lactoperoxidase (EC 1.11.1.7) | protein | 595 | 38% helix, 10% strand | A0A452E9Y6 |
Ligands and binding sites
- OSM · 1-(oxidosulfanyl)methanamine · ligand · 8 copies · chains A
- HEM · Protoporphyrin IX containing Fe · ligand · chains A
- PEO · Hydrogen peroxide · ligand · chains A
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 3 copies · chains A
- CA · Calcium ion · metal · chains A
- IOD · Iodide ion · ion · 12 copies · chains A
- SCN · Thiocyanate ion · ion · 7 copies · chains A
- EDO · 1,2-ethanediol · additive · 4 copies · chains A
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 747 | 0.81 | 0.84 | 77 | HEM, PEO, OSM |
| 2 | 212 | 0.59 | 0.80 | 41 | EDO |
| 3 | 89 | 0.49 | 0.82 | 23 | empty |
| 4 | 92 | 0.39 | 0.77 | 26 | EDO |
| 5 | 87 | 0.37 | 0.76 | 16 | IOD, SCN |
Modifications
Observed in the structure: 7 disulfide, 3 glycan, 2 cofactor (disulfide, N-glycosylation, heme attachment).
Compared structures
- 6LF7 · Crystal structure of the complex of goat lactoperoxidase with hypothiocyanite and… · the same entry in another collection · 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 A0A452E9Y6
- Elsewhere: RCSB PDB 6LF7 · PDBe 6LF7 · UniProt A0A452E9Y6
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