Structure of PDB 6r2u Chain C Binding Site BS01

Receptor Information
>6r2u Chain C (length=272) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DGRYSLTYIYTGLSKHVEDVPAFQALGSLNDLQFFRYNSKDRKSQPMGLW
RQVEGMEDWKQDSQLQKAREDIFMETLKDIVEYYNDSNGSHVLQGRFGCE
IENNRSSGAFWKYYYDGKDYIEFNKEIPAWVPFDPAAQITKQKWEAEPVY
VQRAKAYLEEECPATLRKYLKYSKNILDRQDPPSVVVTSHQAPGEKKKLK
CLAYDFYPGKIDVHWTRAGEVQEPELRGDVLHNGNGTYQSWVVVAVPPQD
TAPYSCHVQHSSLAQPLVVPWE
Ligand information
Ligand ID11D
InChIInChI=1S/C23H34N2O4S/c1-25(2)21-15-11-14-20-19(21)13-12-16-22(20)30(28,29)24-18-10-8-6-4-3-5-7-9-17-23(26)27/h11-16,24H,3-10,17-18H2,1-2H3,(H,26,27)
InChIKeyCEPGVMDMVJGHFQ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(O)CCCCCCCCCCNS(=O)(=O)c2cccc1c(cccc12)N(C)C
OpenEye OEToolkits 1.7.0CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCCCCCC(=O)O
CACTVS 3.370CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCCCCCCCCCC(O)=O
FormulaC23 H34 N2 O4 S
Name11-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)undecanoic acid;
11-(Dansylamino)undecanoic acid
ChEMBL
DrugBank
ZINCZINC000014982711
PDB chain6r2u Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6r2u Crystal structure of zinc-alpha 2-glycoprotein in complex with a fatty acid reveals multiple different modes of protein-lipid binding.
Resolution2.49 Å
Binding residue
(original residue number in PDB)		E151 V153 Y154
Binding residue
(residue number reindexed from 1)		E147 V149 Y150
Annotation score1
Binding affinityMOAD: Kd=0.51uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004540 RNA nuclease activity
GO:0005515 protein binding
GO:0008320 protein transmembrane transporter activity
Biological Process
GO:0001580 detection of chemical stimulus involved in sensory perception of bitter taste
GO:0006955 immune response
GO:0007155 cell adhesion
GO:0008285 negative regulation of cell population proliferation
GO:0071806 protein transmembrane transport
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space
GO:0005634 nucleus
GO:0009897 external side of plasma membrane
GO:0062023 collagen-containing extracellular matrix
GO:0070062 extracellular exosome

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6r2u, PDBe:6r2u, PDBj:6r2u
PDBsum6r2u
PubMed31506272
UniProtP25311|ZA2G_HUMAN Zinc-alpha-2-glycoprotein (Gene Name=AZGP1)

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