Structure of PDB 7rm6 Chain B Binding Site BS04

Receptor Information
>7rm6 Chain B (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 IDCXF
InChIInChI=1S/C7H13NO/c9-6-8-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,8,9)
InChIKeySWGXDLRCJNEEGZ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1CCC(CC1)NC=O
ACDLabs 10.04
CACTVS 3.341		O=CNC1CCCCC1
FormulaC7 H13 N O
NameCYCLOHEXYLFORMAMIDE
ChEMBLCHEMBL46778
DrugBankDB03559
ZINCZINC000000332634
PDB chain7rm6 Chain B Residue 404 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7rm6 A two-directional vibrational probe reveals different electric field orientations in solution and an enzyme active site.
Resolution1.43 Å
Binding residue
(original residue number in PDB)		S48 L57 H67 F93 L116 C174 V294
Binding residue
(residue number reindexed from 1)		S48 L57 H67 F93 L116 C174 V294
Annotation score1
Enzymatic activity
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7rm6, PDBe:7rm6, PDBj:7rm6
PDBsum7rm6
PubMed35513508
UniProtP00327|ADH1E_HORSE Alcohol dehydrogenase E chain

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