Structure of PDB 5bvs Chain B Binding Site BS01

Receptor Information
>5bvs Chain B (length=132) Species: 30457 (Pygoscelis papua) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MCDQFVGTWKFLSSENFEDYMKELGVGFATRKMAGVAKPNVTISINGDVI
TIKTESTFKNTEVSFRLGEEFDETTADDRKTKNVITLDNGILNQVQKWDG
KETVIKRKVMDGNLVVECTMNTVTSKRVYERA
Ligand information
Ligand IDEIC
InChIInChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-
InChIKeyOYHQOLUKZRVURQ-HZJYTTRNSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CCCCCC=CCC=CCCCCCCCC(O)=O
CACTVS 3.341CCCCC/C=C\C\C=C/CCCCCCCC(O)=O
OpenEye OEToolkits 1.5.0CCCCC\C=C/C\C=C/CCCCCCCC(=O)O
OpenEye OEToolkits 1.5.0CCCCCC=CCC=CCCCCCCCC(=O)O
ACDLabs 10.04O=C(O)CCCCCCC\C=C/C\C=C/CCCCC
FormulaC18 H32 O2
NameLINOLEIC ACID;
9,12-LINOLEIC ACID
ChEMBLCHEMBL267476
DrugBankDB14104
ZINCZINC000004474613
PDB chain5bvs Chain B Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5bvs Structural basis for the ligand-binding specificity of fatty acid-binding proteins (pFABP4 and pFABP5) in gentoo penguin
Resolution2.2 Å
Binding residue
(original residue number in PDB)		F17 A34 P39 T57 F58 D77 R127 Y129
Binding residue
(residue number reindexed from 1)		F17 A34 P39 T57 F58 D77 R127 Y129
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005324 long-chain fatty acid transmembrane transporter activity
GO:0005504 fatty acid binding
GO:0008289 lipid binding
GO:0070538 oleic acid binding
GO:0070539 linoleic acid binding
GO:0070540 stearic acid binding
Biological Process
GO:0015908 fatty acid transport
GO:0015909 long-chain fatty acid transport
GO:0071399 cellular response to linoleic acid
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5bvs, PDBe:5bvs, PDBj:5bvs
PDBsum5bvs
PubMed26206084
UniProtA0A0K0MJN3|FABP4_PYGPA Fatty acid-binding protein, adipocyte (Gene Name=FABP4)

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