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Structure of pentaerythritol tetranitrate reductase W102Y mutant and complexed with picric acid

Analyse Structure of pentaerythritol tetranitrate reductase W102Y mutant and complexed… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 1VYS
Type: protein
Length: 364 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Pentaerythritol tetranitrate reductase
UniProt: P71278
Ligands: FMN, TNF
Pockets: 1 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 34% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
X	Pentaerythritol tetranitrate reductase	protein	364	34% helix, 18% strand	P71278

Ligands and binding sites

FMN · Flavin mononucleotide · ligand · chains X
TNF · Picric acid · ligand · chains X

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.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	332	0.76	0.87	35	FMN, TNF

Compared structures

1VYS · Structure of pentaerythritol tetranitrate reductase W102Y mutant and complexed with… · the same entry in another collection · chain X against X, 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 P71278
Elsewhere: RCSB PDB 1VYS · PDBe 1VYS · UniProt P71278

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