Structure of PDB 2jhg Chain B

Receptor sequence

>2jhgB (length=374) Species: 9796 (Equus caballus)

STAGKVIKCKAAVLWEEKKPFSIEEVEVAPPKAHEVRIKMVATGICRSDD
HVVSGTLVTPLPVIAGHEAAGIVESIGEGVTTVRPGDKVIPLFTPQCGKC
RVCKHPEGNFCLKNDLSMPRGTMQDGTSRFTCRGKPIHHFLGTSTFSQYT
VVDEISVAKIDAASPLEKVCLIGCGFSTGYGSAVKVAKVTQGSTCAVFGL
GGVGLSVIMGCKAAGAARIIGVDINKDKFAKAKEVGATECVNPQDYKKPI
QEVLTEMSNGGVDFSFEVIGRLDTMVTALSCCQEAYGVSVIVGVPPDSQN
LSMNPMLLLSGRTWKGAIFGGFKSKDSVPKLVADFMAKKFALDPLITHVL
PFEKINEGFDLLRSGESIRTILTF

3D structure

• PDB: 2jhg Structural Evidence for a Ligand Coordination Switch in Liver Alcohol Dehydrogenase
• Chain: B
• Resolution: 1.2 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	B	C46 H67 C174	C46 H67 C174
BS02	ZN	B	C97 C100 C103 C111	C97 C100 C103 C111
BS03	NAD	B	C46 R47 S48 H51 C174 T178 G199 G201 V203 D223 I224 K228 I269 R271 V292 G293 V294 I318 R369	C46 R47 S48 H51 C174 T178 G199 G201 V203 D223 I224 K228 I269 R271 V292 G293 V294 I318 R369
BS04	IBO	B	S48 H67 F93 C174	S48 H67 F93 C174	BindingDB: Ki=220000nM

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:2jhg, PDBe:2jhg, PDBj:2jhg
• PDBsum: 2jhg
• PubMed: 17429946
• UniProt: P00327|ADH1E_HORSE Alcohol dehydrogenase E chain