Structure of PDB 7wpu Chain A Binding Site BS01

Receptor Information
>7wpu Chain A (length=133) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDIL
TLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDG
QETTLVRELIDGKLILTLTHGTAVCTRTYEKEA
Ligand information
Ligand ID11A
InChIInChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13)
InChIKeyZDPHROOEEOARMN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CCCCCCCCCCC(O)=O
OpenEye OEToolkits 1.5.0CCCCCCCCCCC(=O)O
ACDLabs 10.04O=C(O)CCCCCCCCCC
FormulaC11 H22 O2
NameUNDECANOIC ACID
ChEMBLCHEMBL108030
DrugBankDB16857
ZINCZINC000001586297
PDB chain7wpu Chain A Residue 201 [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]
PDB7wpu The 0.95 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with undecanoic acid
Resolution0.95 Å
Binding residue
(original residue number in PDB)		M20 L115 R126 Y128
Binding residue
(residue number reindexed from 1)		M21 L116 R127 Y129
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0008092 cytoskeletal protein binding
GO:0008289 lipid binding
GO:0036041 long-chain fatty acid binding
GO:0070538 oleic acid binding
Biological Process
GO:0008285 negative regulation of cell population proliferation
GO:0015909 long-chain fatty acid transport
GO:0032365 intracellular lipid transport
GO:0042632 cholesterol homeostasis
GO:0046320 regulation of fatty acid oxidation
GO:0050873 brown fat cell differentiation
GO:0055091 phospholipid homeostasis
GO:0071073 positive regulation of phospholipid biosynthetic process
GO:0140214 positive regulation of long-chain fatty acid import into cell
GO:2001245 regulation of phosphatidylcholine biosynthetic process
Cellular Component
GO:0005615 extracellular space
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0070062 extracellular exosome

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7wpu, PDBe:7wpu, PDBj:7wpu
PDBsum7wpu
PubMed
UniProtP05413|FABPH_HUMAN Fatty acid-binding protein, heart (Gene Name=FABP3)

[Back to BioLiP]