Structure of PDB 4nfs Chain A

Receptor sequence

>4nfsA (length=374) Species: 9796 (Equus caballus)

STAGKVIKCKAAVLWEEKKPFSIEEVEVAPPKAHEVRIKMVATGICRSDD
HVVSGTLVTPLPVIAGHEAAGIVESIGEGVTTVRPGDKVIPLFTPQCGKC
RVCKHPEGNFCLKNDLSMPRGTMQDGTSRFTCRGKPIHHFLGTSTFSQYT
VVDEISVAKIDAASPLEKVCLIGCGFSTGYGSAVKVAKVTQGSTCAVFGL
GGAGLSVIMGCKAAGAARIIGVDINKDKFAKAKEVGATECVNPQDYKKPI
QEVLTEMSNGGVDFSFEVIGRLDTMVTALSCCQEAYGVSVIVGVPPDSQN
LSMNPMLLLSGRTWKGAIFGGFKSKDSVPKLVADFMAKKFALDPLITHVL
PFEKINEGFDLLRSGESIRTILTF

3D structure

• PDB: 4nfs Effects of cavities at the nicotinamide binding site of liver alcohol dehydrogenase on structure, dynamics and catalysis.
• Chain: A
• Resolution: 1.1 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): C46 R47 S48 H51 H67 E68 C97 C100 C103 C111 D115 C174 T178 R369
• Catalytic site (residue number reindexed from 1): C46 R47 S48 H51 H67 E68 C97 C100 C103 C111 D115 C174 T178 R369
• Enzyme Commision number: 1.1.1.1: alcohol 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	ZN	A	C46 H67 C174	C46 H67 C174
BS02	ZN	A	C97 C100 C103 C111	C97 C100 C103 C111
BS03	NAJ	A	R47 S48 H51 C174 T178 G199 G201 A203 D223 I224 V268 I269 V292 G293 V294 I318	R47 S48 H51 C174 T178 G199 G201 A203 D223 I224 V268 I269 V292 G293 V294 I318
BS04	ETF	A	S48 H67 F93 C174	S48 H67 F93 C174

Gene Ontology

Molecular Function

• GO:0004022 alcohol dehydrogenase (NAD+) activity
• GO:0004745 all-trans-retinol dehydrogenase (NAD+) activity
• GO:0008270 zinc ion binding
• GO:0016491 oxidoreductase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0042572 retinol metabolic process
• GO:0042573 retinoic acid metabolic process

Cellular Component

• GO:0005737 cytoplasm
• GO:0005829 cytosol

External links

• PDB: RCSB:4nfs, PDBe:4nfs, PDBj:4nfs
• PDBsum: 4nfs
• PubMed: 24437493
• UniProt: P00327|ADH1E_HORSE Alcohol dehydrogenase E chain