Structure of PDB 4xl8 Chain B Binding Site BS01

Receptor Information
>4xl8 Chain B (length=161) Species: 332179 (human adenovirus 52) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IQTLWTPPTSNPNCTVYTESDSLLSLCLTKCGAHVLGSVSLTGVAGTMTN
MAETSLAIEFTFDDTGKLLHSPLVNNTFSIRQYNALAFMPNSTLYARGGS
GEPRNNYYVQTYLRGNVQRPITLTVTFNSAATGYSLSFKWTAVVREKFAA
PATSFCYITEQ
Ligand information
Ligand IDGLU
InChIInChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
InChIKeyWHUUTDBJXJRKMK-VKHMYHEASA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(O)C(N)CCC(=O)O
OpenEye OEToolkits 1.7.0C(CC(=O)O)C(C(=O)O)N
OpenEye OEToolkits 1.7.0C(CC(=O)O)[C@@H](C(=O)O)N
CACTVS 3.370N[C@@H](CCC(O)=O)C(O)=O
CACTVS 3.370N[CH](CCC(O)=O)C(O)=O
FormulaC5 H9 N O4
NameGLUTAMIC ACID
ChEMBLCHEMBL575060
DrugBankDB00142
ZINCZINC000001482113
PDB chain4xl8 Chain B Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4xl8 Human Adenovirus 52 Uses Sialic Acid-containing Glycoproteins and the Coxsackie and Adenovirus Receptor for Binding to Target Cells.
Resolution1.65 Å
Binding residue
(original residue number in PDB)		G300 E304
Binding residue
(residue number reindexed from 1)		G98 E102
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0007155 cell adhesion
GO:0019058 viral life cycle
GO:0019062 virion attachment to host cell
Cellular Component
GO:0019028 viral capsid

View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4xl8, PDBe:4xl8, PDBj:4xl8
PDBsum4xl8
PubMed25674795
UniProtA0MK70

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