Structure of PDB 4ymk Chain D Binding Site BS02

Receptor Information
>4ymk Chain D (length=312) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DIRPEMKEDIHDPTYQDEEGPPPKLEYVWRNIILMVLLHLGGLYGIILVP
SCKLYTCLFGIFYYMTSALGITAGAHRLWSHRTYKARLPLRIFLIIANTM
AFQNDVYEWARDHRAHHKFSETHADPHNSRRGFFFSHVGWLLVRKHPAVK
EKGGKLDMSDLKAEKLVMFQRRYYKPGLLLMCFILPTLVPWYCWGETFVN
SLFVSTFLRYTLVLNATWLVNSAAHLYGYRPYDKNIQSRENILVSLGAVG
EGFHNYHHTFPFDYSASEYRWHINFTTFFIDCMAALGLAYDRKKVSKATV
LARIKRTGDGSH
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain4ymk Chain D Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4ymk X-ray structure of a mammalian stearoyl-CoA desaturase.
Resolution2.605 Å
Binding residue
(original residue number in PDB)		H156 H265 H294 H298
Binding residue
(residue number reindexed from 1)		H116 H225 H254 H258
Annotation score1
Enzymatic activity
Enzyme Commision number 1.14.19.1: stearoyl-CoA 9-desaturase.
Gene Ontology
Molecular Function
GO:0004768 stearoyl-CoA 9-desaturase activity
GO:0005506 iron ion binding
GO:0016215 acyl-CoA desaturase activity
GO:0016491 oxidoreductase activity
GO:0016717 oxidoreductase activity, acting on paired donors, with oxidation of a pair of donors resulting in the reduction of molecular oxygen to two molecules of water
GO:0032896 palmitoyl-CoA 9-desaturase activity
GO:0046872 metal ion binding
Biological Process
GO:0006629 lipid metabolic process
GO:0006633 fatty acid biosynthetic process
GO:0006636 unsaturated fatty acid biosynthetic process
GO:0006641 triglyceride metabolic process
GO:0007584 response to nutrient
GO:0008610 lipid biosynthetic process
GO:0009617 response to bacterium
GO:0042632 cholesterol homeostasis
GO:0048733 sebaceous gland development
GO:0050830 defense response to Gram-positive bacterium
GO:0050872 white fat cell differentiation
GO:0050873 brown fat cell differentiation
GO:0055088 lipid homeostasis
GO:0055092 sterol homeostasis
GO:0070542 response to fatty acid
GO:0120162 positive regulation of cold-induced thermogenesis
GO:1903699 tarsal gland development
GO:1903966 monounsaturated fatty acid biosynthetic process
Cellular Component
GO:0005783 endoplasmic reticulum
GO:0005789 endoplasmic reticulum membrane
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4ymk, PDBe:4ymk, PDBj:4ymk
PDBsum4ymk
PubMed26098370
UniProtP13516|ACOD1_MOUSE Acyl-CoA desaturase 1 (Gene Name=Scd1)

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