Structure of PDB 7wpg Chain A Binding Site BS01
Receptor Information
>7wpg Chain A (length=133) Species:
9606
(Homo sapiens) [
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MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDIL
TLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDG
QETTLVRELIDGKLILTLTHGTAVCTRTYEKEA
Ligand information
Ligand ID
DKL
InChI
InChI=1S/C7H16O2/c1-2-3-4-5-6-7(8)9/h7-9H,2-6H2,1H3
InChIKey
MHIBEGOZTWERHF-UHFFFAOYSA-N
SMILES
Software
SMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7
CCCCCCC(O)O
Formula
C7 H16 O2
Name
heptane-1,1-diol
ChEMBL
DrugBank
ZINC
PDB chain
7wpg Chain A Residue 200 [
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Receptor-Ligand Complex Structure
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PDB
7wpg
The 0.90 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with heptanoic acid
Resolution
0.9 Å
Binding residue
(original residue number in PDB)
L115 R126 Y128
Binding residue
(residue number reindexed from 1)
L116 R127 Y129
Annotation score
1
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
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Biological Process
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Cellular Component
External links
PDB
RCSB:7wpg
,
PDBe:7wpg
,
PDBj:7wpg
PDBsum
7wpg
PubMed
UniProt
P05413
|FABPH_HUMAN Fatty acid-binding protein, heart (Gene Name=FABP3)
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