Structure of PDB 4urf Chain A

Receptor sequence

>4urfA (length=248) Species: 76114 (Aromatoleum aromaticum EbN1)

MLLEGKTALVTGAGNGIGRTIALTYAAEGANVVVSDISDEWGRETLALIE
GKGGKAVFQHADTAHPEDHDELIAAAKRAFGRLDIACNNAGISGEFTPTA
ETTDAQWQRVIGINLSGVFYGVRAQIRAMLETGGGAIVNISSIAGQIGIE
GITPYTAAKHGVVGLTKTVAWEYGSKGIRINSVGPAFINTTLVQNVPLET
RRQLEQMHALRRLGETEEVANLVAWLSSDKASFVTGSYYAVDGGYLAR

3D structure

• PDB: 4urf Molecular Genetic and Crystal Structural Analysis of 1-(4-Hydroxyphenyl)-Ethanol Dehydrogenase from 'Aromatoleum Aromaticum' Ebn1.
• Chain: A
• Resolution: 1.1 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): G16 S142 I152 Y155 K159
• Catalytic site (residue number reindexed from 1): G16 S142 I152 Y155 K159
• Enzyme Commision number: 1.1.1.311: (S)-1-phenylethanol dehydrogenase.

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	NAD	A	G12 G14 N15 G16 I17 D36 I37 W41 D62 T63 N89 A90 G91 I140 Y155 K159 P185 I188 T190	G12 G14 N15 G16 I17 D36 I37 W41 D62 T63 N89 A90 G91 I140 Y155 K159 P185 I188 T190
BS02	1PS	A	I92 S93 G94 R109	I92 S93 G94 R109
BS03	1PS	A	E95 T97 E101 T103 Q106	E95 T97 E101 T103 Q106
BS04	MG	A	S237 Y238	S237 Y238
BS05	1PS	A	S175 G177	S175 G177

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0016491 oxidoreductase activity
• GO:0016616 oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
• GO:0046872 metal ion binding

External links

• PDB: RCSB:4urf, PDBe:4urf, PDBj:4urf
• PDBsum: 4urf
• PubMed: 26488297
• UniProt: Q5P8S7