Structure of PDB 4lq9 Chain A Binding Site BS03

Receptor Information

>4lq9 Chain A (length=501) Species: 142786 (Norovirus)

GTYCGAPILGPGSAPKLSTKTKFWRSSTTPLPPGTYEPAYLGGKDPRVKG
GPSLQQVMRDQLKPFTEPRGKPPKPSVLEAAKKTIINVLEQTIDPPEKWS
FTQACASLDKTTSSGHPHHMRKNDCWNGESFTGKLADQASKANLMFEGGK
NMTPVYTGALKDELVKTDKIYGKIKKRLLWGSDLATMIRCARAFGGLMDE
LKAHCVTLPIRVGMNMNEDGPIIFERHSRYKYHYDADYSRWDSTQQRAVL
AAALEIMVKFSSEPHLAQVVAEDLLSPSVVDVGDFKISINEGLPSGVPCT
SQWNSIAHWLLTLCALSEVTNLSPDIIQANSLFSFYGDDEIVSTDIKLDP
EKLTAKLKEYGLKPTRPDKTEGPLVISEDLNGLTFLRRTVTRDPAGWFGK
LEQSSILRQMYWTRGPNHEDPSETMIPHSQRPIQLMSLLGEAALHGPAFY
SKISKLVIAELKEGGMDFYVPRQEPMFRWMRFSDLSTWEGDRNLAPSFVN
E

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 4lq9 Chain A Residue 603

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4lq9 Naphthalene-sulfonate inhibitors of human norovirus RNA-dependent RNA-polymerase.
• Resolution: 2.04 Å
• Binding residue (original residue number in PDB): D240 D344 E345 T389
• Binding residue (residue number reindexed from 1): D235 D339 E340 T384
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.6.1.15: nucleoside-triphosphate phosphatase.

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0003723 RNA binding
• GO:0003968 RNA-dependent RNA polymerase activity
• GO:0004386 helicase activity
• GO:0005524 ATP binding
• GO:0046872 metal ion binding

Biological Process

• GO:0001172 RNA-templated transcription
• GO:0006351 DNA-templated transcription
• GO:0039694 viral RNA genome replication

External links

• PDB: RCSB:4lq9, PDBe:4lq9, PDBj:4lq9
• PDBsum: 4lq9
• PubMed: 24316032
• UniProt: Q2N379