Structure of PDB 3ry8 Chain A Binding Site BS01

Receptor Information
>3ry8 Chain A (length=310) Species: 11983 (Norwalk virus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KPFTLPILTLGELTNSRFPLPIDVLYTNPNESAIVQCQNGRCTLDGELQG
TTQLLPTGICAFRGKVTQQVQGTHWNMTVTNLNGTPFDPTEDVPAPLGTP
DFSGQIYGVISQRNTNTVPGEGNLPANRAHEAVIATYSPKFTPKLGNIQF
STWETQDVSSGQPTKFTPVGLASVDANSHFDQWTLPSYSGALTLNMNLAP
SVAPVFPGECLLFFRSFIPLKGGYGNPAIDCLMPQEWVQHLYQESAPSLS
DVALVRYVNPETGRTLFEAKLHRNGFLTVARNSAGPVVAPTNGYFRFDSW
VNQFYTLAPM
Ligand information
Ligand IDFLC
InChIInChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3
InChIKeyKRKNYBCHXYNGOX-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341OC(CC([O-])=O)(CC([O-])=O)C([O-])=O
OpenEye OEToolkits 1.5.0C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O
ACDLabs 10.04O=C([O-])CC(O)(C([O-])=O)CC(=O)[O-]
FormulaC6 H5 O7
NameCITRATE ANION
ChEMBL
DrugBank
ZINC
PDB chain3ry8 Chain A Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3ry8 Structural basis for norovirus inhibition and fucose mimicry by citrate.
Resolution1.4 Å
Binding residue
(original residue number in PDB)		N355 R356 D385
Binding residue
(residue number reindexed from 1)		N127 R128 D157
Annotation score3
Binding affinityMOAD: Kd=460uM
PDBbind-CN: -logKd/Ki=3.34,Kd=460uM
Enzymatic activity
Enzyme Commision number ?
External links