MolNFT v1 · #142519 · protein
Crystal structure of a lignin peroxidase isozyme H8 variant that is stable at very acidic pH
6A6Q · Ligninase H8: “Crystal structure of a lignin peroxidase isozyme H8 variant that is stable at very acidic pH”. X-ray diffraction, 2 ligands (HEB, CA), 2 pockets (best druggability 0.84). MolNFT v1 #142519 on GenesisL1: 3D structure…
- PDB
- 6A6Q
- Type
- protein
- Length
- 345 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ligninase H8
- EC
- 1.11.1.14
- UniProt
- P06181
- Ligands
- HEB, CA
- Pockets
- 2 · best druggability 0.84
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 6% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ligninase H8 (EC 1.11.1.14) | protein | 345 | 41% helix, 6% strand | P06181 |
Ligands and binding sites
- HEB · Heme B/C · ligand · chains A
- CA · Calcium ion · metal · 2 copies · chains A
- GOL · Glycerol · additive · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 421 | 0.84 | 0.91 | 49 | HEB |
| 2 | 82 | 0.34 | 0.74 | 24 | empty |
Modifications
Observed in the structure: 4 disulfide, 1 modified (disulfide, hydroxylation).
Compared structures
- 6A6Q · Crystal structure of a lignin peroxidase isozyme H8 variant that is stable at very acidic… · the same entry in another collection · chain A against A, TM-score 1.00
- P06181 · AlphaFold monomer V2.0 prediction for ligninase H8 (P06181) · 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 P06181
- Elsewhere: RCSB PDB 6A6Q · PDBe 6A6Q · UniProt P06181
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