MolNFT v1 · #51606 · protein

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

2VCF · Ascorbate peroxidase from soybean cytosol: “Structure of isoniazid (inh) bound to cytosolic soybean ascorbate peroxidase”. X-ray diffraction, 3 ligands (ISZ, HEM, NA), 2 pockets (best druggability 0.78). MolNFT v1 #51606 on…

PDB: 2VCF
Type: protein
Length: 250 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Ascorbate peroxidase from soybean cytosol
EC: 1.11.1.11
UniProt: Q43758
Ligands: ISZ, HEM, NA
Pockets: 2 · best druggability 0.78

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
X	Ascorbate peroxidase from soybean cytosol (EC 1.11.1.11)	protein	250	55% helix, 2% strand	Q43758

Ligands and binding sites

ISZ · 4-(diazenylcarbonyl)pyridine · ligand · 2 copies · chains X
HEM · Protoporphyrin IX containing Fe · ligand · chains X
NA · Sodium ion · metal · chains X

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	367	0.78	0.87	43	ISZ, HEM
2	53	0.25	0.73	16	empty

Compared structures

2VCF · Structure of isoniazid (INH) bound to cytosolic soybean ascorbate peroxidase · the same entry in another collection · chain X against X, 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 2VCF · PDBe 2VCF · UniProt Q43758

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