Structure of PDB 2obd Chain A Binding Site BS01

Receptor Information

>2obd Chain A (length=472) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

TSHEAGIVCRITKPALLVLNHETAKVIQTAFQRASYPDITGEKAMMLLGQ
VKYGLHNIQISHLSIASSQVELVEAKSIDVSIQDVSVVFKGTLKYGYTTA
WWLGIDQSIDFEIDSAIDLQINTQLTADSGRVRTDAPDCYLSFHKLLLHL
QGEREPGWIKQLFTNFISFTLKLVLKGQICKEINVISNIMADFVQTRAAS
ILSDGDIGVDISLTGDPVITASYLESHHKGHFIYKDVSEDLPLPTFSPTL
LGDSRMLYFWFSERVFHSLAKVAFQDGRLMLSLMGDEFKAVLETWGFNTN
QEIFQEVVGGFPSQAQVTVHCLKMPKISCQNKGVVVDSSVMVKFLFPRPD
QQHSVAYTFEEDIVTTVQASYSKKKLFLSLLDFQITPKTVSNLTESSSES
IQSFLQSMITAVGIPEVMSRLEVVFTALMNSKGVSLFDIINPEIITRDGF
LLLQMDFGFPEHLLVDFLQSLS

Ligand information

Ligand ID

FUC

InChI

InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6+/m0/s1

InChIKey

SHZGCJCMOBCMKK-SXUWKVJYSA-N

SMILES

Software	SMILES
CACTVS 3.341	C[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O
ACDLabs 10.04	OC1C(O)C(OC(O)C1O)C
OpenEye OEToolkits 1.5.0	CC1C(C(C(C(O1)O)O)O)O
OpenEye OEToolkits 1.5.0	C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O
CACTVS 3.341	C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O

Formula

C6 H12 O5

Name

alpha-L-fucopyranose;
alpha-L-fucose;
6-deoxy-alpha-L-galactopyranose;
L-fucose;
fucose

PDB chain

2obd Chain B Residue 3 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	2obd Crystal structure of cholesteryl ester transfer protein reveals a long tunnel and four bound lipid molecules.
Resolution	2.1 Å
Binding residue (original residue number in PDB)	S402 E403
Binding residue (residue number reindexed from 1)	S398 E399
Annotation score	1

Enzymatic activity

Enzyme Commision number

Gene Ontology

	Molecular Function
GO:0005548	phospholipid transporter activity
GO:0008289	lipid binding
GO:0015485	cholesterol binding
GO:0017129	triglyceride binding
GO:0031210	phosphatidylcholine binding
GO:0120020	cholesterol transfer activity

	Biological Process
GO:0006641	triglyceride metabolic process
GO:0006869	lipid transport
GO:0008203	cholesterol metabolic process
GO:0010745	negative regulation of macrophage derived foam cell differentiation
GO:0010874	regulation of cholesterol efflux
GO:0015914	phospholipid transport
GO:0030301	cholesterol transport
GO:0032376	positive regulation of cholesterol transport
GO:0034197	triglyceride transport
GO:0034372	very-low-density lipoprotein particle remodeling
GO:0034374	low-density lipoprotein particle remodeling
GO:0034375	high-density lipoprotein particle remodeling
GO:0042632	cholesterol homeostasis
GO:0043691	reverse cholesterol transport
GO:0046470	phosphatidylcholine metabolic process
GO:0055088	lipid homeostasis
GO:0055091	phospholipid homeostasis
GO:0070328	triglyceride homeostasis
GO:2001140	positive regulation of phospholipid transport

	Cellular Component
GO:0005576	extracellular region
GO:0005615	extracellular space
GO:0031982	vesicle
GO:0034364	high-density lipoprotein particle
GO:0070062	extracellular exosome

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Molecular Function

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Biological Process

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Cellular Component

External links

PDB	RCSB:2obd, PDBe:2obd, PDBj:2obd
PDBsum	2obd
PubMed	17237796
UniProt	P11597\|CETP_HUMAN Cholesteryl ester transfer protein (Gene Name=CETP)

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