Structure of PDB 6r2u Chain B Binding Site BS01

Receptor Information
>6r2u Chain B (length=273) 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
TAPYSCHVQHSSLAQPLVVPWEA
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)		R73 F101 W115 W148 Y161 C166 T169
Binding residue
(residue number reindexed from 1)		R69 F97 W111 W144 Y157 C162 T165
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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