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Crystal structure of pentaerythritol tetranitrate reductase complex with 1-nitrocyclohexene

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

PDB: 3F03
Type: protein
Length: 362 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Pentaerythritol tetranitrate reductase
EC: 1.7.99.-
UniProt: P71278
Ligands: NYH, FMN, CL
Pockets: 1 · best druggability 0.74

Structure

x-ray diffraction · 1 distinct chain · 35% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
K	Pentaerythritol tetranitrate reductase (EC 1.7.99.-)	protein	362	35% helix, 19% strand	P71278

Ligands and binding sites

NYH · 1-nitrocyclohexene · ligand · chains K
FMN · Flavin mononucleotide · ligand · chains K
CL · Chloride ion · ion · chains K
IPA · Isopropyl alcohol · additive · chains K

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	385	0.74	0.84	38	NYH, FMN, CL, IPA

Compared structures

3F03 · Crystal structure of Pentaerythritol Tetranitrate Reductase complex with… · the same entry in another collection · chain K against K, 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 P71278
Elsewhere: RCSB PDB 3F03 · PDBe 3F03 · UniProt P71278

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