Structure of PDB 1gnj Chain A Binding Site BS01
Receptor Information
>1gnj Chain A (length=582) Species:
9606
(Homo sapiens) [
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HKSEVAHRFKDLGEENFKALVLIAFAQYLQQCPFEDHVKLVNEVTEFAKT
CVADESAENCDKSLHTLFGDKLCTVATLRETYGEMADCCAKQEPERNECF
LQHKDDNPNLPRLVRPEVDVMCTAFHDNEETFLKKYLYEIARRHPYFYAP
ELLFFAKRYKAAFTECCQAADKAACLLPKLDELRDEGKASSAKQRLKCAS
LQKFGERAFKAWAVARLSQRFPKAEFAEVSKLVTDLTKVHTECCHGDLLE
CADDRADLAKYICENQDSISSKLKECCEKPLLEKSHCIAEVENDEMPADL
PSLAADFVESKDVCKNYAEAKDVFLGMFLYEYARRHPDYSVVLLLRLAKT
YETTLEKCCAAADPHECYAKVFDEFKPLVEEPQNLIKQNCELFEQLGEYK
FQNALLVRYTKKVPQVSTPTLVEVSRNLGKVGSKCCKHPEAKRMPCAEDY
LSVVLNQLCVLHEKTPVSDRVTKCCTESLVNRRPCFSALEVDETYVPKEF
NAETFTFHADICTLSEKERQIKKQTALVELVKHKPKATKEQLKAVMDDFA
AFVEKCCKADDKETCFAEEGKKLVAASQAALG
Ligand information
Ligand ID
ACD
InChI
InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-
InChIKey
YZXBAPSDXZZRGB-DOFZRALJSA-N
SMILES
Software
SMILES
CACTVS 3.341
CCCCC/C=C\C\C=C/C/C=C\C\C=C/CCCC(O)=O
ACDLabs 10.04
O=C(O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC
OpenEye OEToolkits 1.5.0
CCCCCC=CCC=CCC=CCC=CCCCC(=O)O
OpenEye OEToolkits 1.5.0
CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O
CACTVS 3.341
CCCCCC=CCC=CCC=CCC=CCCCC(O)=O
Formula
C20 H32 O2
Name
ARACHIDONIC ACID
ChEMBL
CHEMBL15594
DrugBank
DB04557
ZINC
ZINC000004474696
PDB chain
1gnj Chain A Residue 1001 [
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Receptor-Ligand Complex Structure
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PDB
1gnj
Crystal Structures of Human Serum Albumin Complexed with Monounsaturated and Polyunsaturated Fatty Acids.
Resolution
2.6 Å
Binding residue
(original residue number in PDB)
R117 M123 Y138 F157 Y161
Binding residue
(residue number reindexed from 1)
R115 M121 Y136 F155 Y159
Annotation score
4
Binding affinity
PDBbind-CN
: -logKd/Ki=7.04,Kd=91nM
Enzymatic activity
Enzyme Commision number
?
Gene Ontology
Molecular Function
GO:0003677
DNA binding
GO:0005504
fatty acid binding
GO:0005507
copper ion binding
GO:0005515
protein binding
GO:0008289
lipid binding
GO:0015643
toxic substance binding
GO:0016209
antioxidant activity
GO:0019825
oxygen binding
GO:0030170
pyridoxal phosphate binding
GO:0042802
identical protein binding
GO:0046872
metal ion binding
GO:0051087
protein-folding chaperone binding
GO:0140272
exogenous protein binding
GO:1903981
enterobactin binding
Biological Process
GO:0009267
cellular response to starvation
GO:0051902
negative regulation of mitochondrial depolarization
GO:0072732
cellular response to calcium ion starvation
GO:0098869
cellular oxidant detoxification
Cellular Component
GO:0005576
extracellular region
GO:0005615
extracellular space
GO:0005634
nucleus
GO:0005737
cytoplasm
GO:0005783
endoplasmic reticulum
GO:0005788
endoplasmic reticulum lumen
GO:0005794
Golgi apparatus
GO:0031093
platelet alpha granule lumen
GO:0032991
protein-containing complex
GO:0070062
extracellular exosome
GO:0072562
blood microparticle
View graph for
Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB
RCSB:1gnj
,
PDBe:1gnj
,
PDBj:1gnj
PDBsum
1gnj
PubMed
11743713
UniProt
P02768
|ALBU_HUMAN Albumin (Gene Name=ALB)
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