Structure of PDB 6py0 Chain A Binding Site BS01

Receptor Information
>6py0 Chain A (length=101) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RWVQFMKEAGQGSRDMWRAYSDMKKANWKNSDKYFHARGNYDAARRGPGG
AWAAKVISDAREAVQKFTGHGDSRADQFANEWGRSGKDPNHFRPAGLPKR
Y
Ligand information
Ligand IDRTL
InChIInChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+
InChIKeyFPIPGXGPPPQFEQ-OVSJKPMPSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC(=CCO)C=CC=C(C)C=CC1=C(C)CCCC1(C)C
ACDLabs 12.01C1(CCCC(=C1\C=C\C(=C\C=C\C(=C\CO)C)C)C)(C)C
OpenEye OEToolkits 2.0.7CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C
OpenEye OEToolkits 2.0.7CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCO)C)C
CACTVS 3.385CC(=C\CO)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
FormulaC20 H30 O
NameRETINOL
ChEMBLCHEMBL986
DrugBankDB00162
ZINCZINC000003831417
PDB chain6py0 Chain C Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6py0 Molecular basis for retinol binding by serum amyloid A during infection.
Resolution2.204 Å
Binding residue
(original residue number in PDB)		A79 A82 V83
Binding residue
(residue number reindexed from 1)		A60 A63 V64
Annotation score4
Binding affinityPDBbind-CN: -logKd/Ki=6.41,Kd=386nM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0035662 Toll-like receptor 4 binding
GO:0042056 chemoattractant activity
Biological Process
GO:0006953 acute-phase response
GO:0009617 response to bacterium
GO:0035634 response to stilbenoid
GO:0050918 positive chemotaxis
GO:0060326 cell chemotaxis
GO:0071347 cellular response to interleukin-1
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space
GO:0034364 high-density lipoprotein particle

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6py0, PDBe:6py0, PDBj:6py0
PDBsum6py0
PubMed31484771
UniProtP04918|SAA3_MOUSE Serum amyloid A-3 protein (Gene Name=Saa3)

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