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Crystal structure of the (S)-specific 1-phenylethanol dehydrogenase of the denitrifying bacterium strain EBN1

Analyse Crystal structure of the (S)-specific 1-phenylethanol dehydrogenase of the… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 2EWM
Type: protein
Length: 480 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: (S)-1-phenylethanol dehydrogenase
Ligands: NAD, SO4
Pockets: 2 · best druggability 0.76

Structure

x-ray diffraction · 2 distinct chains · 47% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	(S)-1-phenylethanol dehydrogenase	protein	233	46% helix, 17% strand	—
B	(S)-1-phenylethanol dehydrogenase	protein	247	47% helix, 17% strand	—

Ligands and binding sites

NAD · Nicotinamide-adenine-dinucleotide · ligand · 2 copies · chains A, B
SO4 · Sulfate ion · ion · 2 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	420	0.76	0.85	48	NAD
2	370	0.69	0.82	41	NAD

Interfaces

1 interface between chains.

A–B · 1615 Å² buried · 20 hydrogen bonds · protein-protein

Compared structures

2EWM · Crystal Structure of the (S)-Specific 1-Phenylethanol Dehydrogenase of the Denitrifying… · the same entry in another collection · chain A against A, 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
Elsewhere: RCSB PDB 2EWM · PDBe 2EWM

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