MolNFT v1 · #123986 · protein

Crystal structure of oxidized shewanella yellow enzyme 4 (SYE4) in complex with P-hydroxybenzaldehyde

5K1K · NAD(P)H:FLAVIN oxidoreductase SYE4: “Crystal structure of oxidized shewanella yellow enzyme 4 (SYE4) in complex with P-hydroxybenzaldehyde”. X-ray diffraction, 3 ligands (HBA, FMN, 8K6), 1 pocket (best druggability 0.71). MolNFT v1…

PDB: 5K1K
Type: protein
Length: 347 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: NAD(P)H:FLAVIN oxidoreductase SYE4
EC: 1.5.1.30, 1.6.99.1
UniProt: Q8EBV3
Ligands: HBA, FMN, 8K6
Pockets: 1 · best druggability 0.71

Structure

x-ray diffraction · 1 distinct chain · 39% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	NAD(P)H:FLAVIN oxidoreductase SYE4 (EC 1.5.1.30, 1.6.99.1)	protein	347	39% helix, 16% strand	Q8EBV3

Ligands and binding sites

HBA · P-hydroxybenzaldehyde · ligand · 5 copies · chains A
FMN · Flavin mononucleotide · ligand · chains A
8K6 · Octadecane · ligand · 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	381	0.71	0.82	37	FMN, HBA

Compared structures

5K1K · Crystal structure of oxidized Shewanella Yellow Enzyme 4 (SYE4) in complex with… · 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 Q8EBV3
Elsewhere: RCSB PDB 5K1K · PDBe 5K1K · UniProt Q8EBV3

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