Structure of PDB 1hld Chain A Binding Site BS05

Receptor Information
>1hld Chain A (length=374) Species: 9796 (Equus caballus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
STAGKVIKCKAAVLWEEKKPFSIEEVEVAPPKAHEVRIKMVATGICRSDD
HVVSGTLVTPLPVIAGHEAAGIVESIGEGVTTVRPGDKVIPLFTPQCGKC
RVCKHPEGNFCLKNDLSMPRGTMQDGTSRFTCRGKPIHHFLGTSTFSQYT
VVDEISVAKIDAASPLEKVCLIGCGFSTGYGSAVKVAKVTQGSTCAVFGL
GGVGLSVIMGCKAAGAARIIGVDINKDKFAKAKEVGATECVNPQDYKKPI
QEVLTEMSNGGVDFSFEVIGRLDTMVTALSCCQEAYGVSVIVGVPPDSQN
LSMNPMLLLSGRTWKGAIFGGFKSKDSVPKLVADFMAKKFALDPLITHVL
PFEKINEGFDLLRSGESIRTILTF
Ligand information
Ligand IDBRB
InChIInChI=1S/C7H7BrO/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2
InChIKeyVEDDBHYQWFOITD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04Brc1ccc(cc1)CO
OpenEye OEToolkits 1.5.0c1cc(ccc1CO)Br
CACTVS 3.341OCc1ccc(Br)cc1
FormulaC7 H7 Br O
NamePARA-BROMOBENZYL ALCOHOL
ChEMBLCHEMBL184410
DrugBankDB02822
ZINCZINC000000404753
PDB chain1hld Chain A Residue 1003 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB1hld Structures of horse liver alcohol dehydrogenase complexed with NAD+ and substituted benzyl alcohols.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		S48 H67 F93 L116 V294
Binding residue
(residue number reindexed from 1)		S48 H67 F93 L116 V294
Annotation score1
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.
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1hld, PDBe:1hld, PDBj:1hld
PDBsum1hld
PubMed8172897
UniProtP00327|ADH1E_HORSE Alcohol dehydrogenase E chain

[Back to BioLiP]