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Structure of isoniazid (inh) bound to cytosolic soybean ascorbate peroxidase mutant W41A

Analyse Structure of isoniazid (inh) bound to cytosolic soybean ascorbate peroxidase… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 2VCN
Type: protein
Length: 249 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Ascorbate peroxidase
EC: 1.11.1.11
UniProt: Q43758
Ligands: ISZ, HEM, SO4
Pockets: 2 · best druggability 0.80

Structure

x-ray diffraction · 1 distinct chain · 53% helix, 2% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Ascorbate peroxidase (EC 1.11.1.11)	protein	249	53% helix, 2% strand	Q43758

Ligands and binding sites

ISZ · 4-(diazenylcarbonyl)pyridine · ligand · 3 copies · chains A
HEM · Protoporphyrin IX containing Fe · ligand · chains A
SO4 · Sulfate ion · ion · 2 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.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	489	0.80	0.87	45	HEM, ISZ
2	50	0.32	0.78	14	empty

Compared structures

2VCN · Structure of isoniazid (INH) bound to cytosolic soybean ascorbate peroxidase mutant W41A · the same entry in another collection · chain A against A, TM-score 1.00

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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 2VCN · PDBe 2VCN · UniProt Q43758

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