MolNFT v1 · #81414 · protein

Pichia stipitis OYE2.6 complexed with nicotinamide

3UPW · Old yellow enzyme 2.6 (OYE2.6), NADPH dehydrogenase: “Pichia stipitis OYE2.6 complexed with nicotinamide”. X-ray diffraction, 3 ligands (FMN, NCA, NA), 1 pocket (best druggability 0.76). MolNFT v1 #81414 on GenesisL1: 3D structure…

PDB: 3UPW
Type: protein
Length: 404 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Old yellow enzyme 2.6 (OYE2.6), NADPH dehydrogenase
EC: 1.6.99.1
UniProt: A3LT82
Ligands: FMN, NCA, NA
Pockets: 1 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Old yellow enzyme 2.6 (OYE2.6), NADPH dehydrogenase (EC 1.6.99.1)	protein	404	41% helix, 15% strand	A3LT82

Ligands and binding sites

FMN · Flavin mononucleotide · ligand · chains A
NCA · Nicotinamide · ligand · chains A
NA · Sodium ion · metal · 4 copies · chains A
MLA · Malonic acid · additive · 3 copies · chains A

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	378	0.76	0.86	52	FMN, MLA, NCA, NA

Compared structures

3UPW · Pichia Stipitis OYE2.6 complexed with nicotinamide · 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 A3LT82
Elsewhere: RCSB PDB 3UPW · PDBe 3UPW · UniProt A3LT82

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