Structure of PDB 3qnd Chain G Binding Site BS01

Receptor Information
>3qnd Chain G (length=184) Species: 52275 (Human adenovirus D37) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DTRTLWTTPDTSPNCTIAQDKDSKLTLVLTKCGSQILANVSLIVVAGKYH
IINNKTNPKIKSFTIKLLFNKNGVLLDNSNLGKAYWNFRSGNSNVSTAYE
KAIGFMPNLVAYPKPSNSKKYARDIVYGTIYLGGKPDQPAVIKTTFNQET
GCEYSITFNFSWSKTYENVEFETTSFTFSYIAQE
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain3qnd Chain G Residue 9 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3qnd A potent trivalent sialic Acid inhibitor of adenovirus type 37 infection of human corneal cells.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		H231 E351
Binding residue
(residue number reindexed from 1)		H50 E170
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:3qnd, PDBe:3qnd, PDBj:3qnd
PDBsum3qnd
PubMed21648036
UniProtQ64823

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