MolNFT v1 · #125411 · protein

Engineered ascorbate peroxidise

5L86 · Ascorbate peroxidase: “Engineered ascorbate peroxidise”. X-ray diffraction, 2 ligands (HEM, SO4), 2 pockets (best druggability 0.79). MolNFT v1 #125411 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5L86
Type: protein
Length: 494 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Ascorbate peroxidase
EC: 1.11.1.11
UniProt: Q43758
Ligands: HEM, SO4
Pockets: 2 · best druggability 0.79

Structure

x-ray diffraction · 1 distinct chain · 55% helix, 2% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Ascorbate peroxidase (EC 1.11.1.11)	protein	247	55% helix, 2% strand	Q43758

Ligands and binding sites

HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
SO4 · Sulfate ion · ion · 6 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	408	0.79	0.88	51	HEM
2	441	0.79	0.87	50	HEM

Interfaces

1 interface between chains.

A–B · 854 Å² buried · 10 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 modified (methylation).

Compared structures

5L86 · engineered ascorbate peroxidise · 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 Q43758
Elsewhere: RCSB PDB 5L86 · PDBe 5L86 · UniProt Q43758

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