MolNFT v1 · #173241 · protein
Recombinant horseradish peroxidase C1A complex with cyanide and ferulic acid
7ATJ: “Recombinant horseradish peroxidase C1A complex with cyanide and ferulic acid”. X-ray diffraction, 4 ligands (FER, HEM, CA), 1 pocket (best druggability 0.80). MolNFT v1 #173241 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 7ATJ
- Type
- protein
- Length
- 305 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peroxidase C1A
- EC
- 1.11.1.7
- UniProt
- P00433
- Ligands
- FER, HEM, CA, CYN
- Pockets
- 1 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 50% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Peroxidase C1A (EC 1.11.1.7) | protein | 305 | 50% helix, 4% strand | P00433 |
Ligands and binding sites
- FER · 3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid · ligand · 2 copies · chains A
- HEM · Protoporphyrin IX containing Fe · ligand · chains A
- CA · Calcium ion · metal · 2 copies · chains A
- CYN · Cyanide ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 413 | 0.80 | 0.89 | 57 | CYN, HEM, FER |
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 7ATJ · Recombinant horseradish peroxidase C1A complex with cyanide and ferulic acid · the same entry in another collection · chain A against A, TM-score 1.00
- P00433 · AlphaFold monomer V2.0 prediction for peroxidase C1A (P00433) · 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 P00433
- Elsewhere: RCSB PDB 7ATJ · PDBe 7ATJ · UniProt P00433
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