MolNFT v1 · #94843 · protein

Structure of the aminoaldehyde dehydrogenase 1 E260A mutant from solanum lycopersicum (SLAMADH1-E260A)

4I8Q · Putative betaine aldehyde dehyrogenase: “Structure of the aminoaldehyde dehydrogenase 1 E260A mutant from solanum lycopersicum (SLAMADH1-E260A)”. X-ray diffraction, 2 ligands (NAD, NA), 2 pockets (best druggability 0.75). MolNFT v1…

PDB: 4I8Q
Type: protein
Length: 495 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative betaine aldehyde dehyrogenase
UniProt: Q56R04
Ligands: NAD, NA
Pockets: 2 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Putative betaine aldehyde dehyrogenase	protein	495	41% helix, 21% strand	Q56R04

Ligands and binding sites

NAD · Nicotinamide-adenine-dinucleotide · ligand · chains A
NA · Sodium ion · metal · chains A
EDO · 1,2-ethanediol · additive · 7 copies · chains A
PEG · Di(hydroxyethyl)ether · additive · 3 copies · chains A

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	727	0.75	0.80	84	NAD, EDO
2	58	0.37	0.79	17	empty

Compared structures

4I8Q · Structure of the aminoaldehyde dehydrogenase 1 E260A mutant from Solanum lycopersicum… · 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 Q56R04
Elsewhere: RCSB PDB 4I8Q · PDBe 4I8Q · UniProt Q56R04

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