Structure of PDB 5wfi Chain A Binding Site BS01

Receptor Information

>5wfi Chain A (length=301) Species: 11142 (Murine hepatitis virus strain A59)

NKVDVLCTVDGVNFRSCCVAEGEVFGKTLGSVFCDGINVTKVRCSAIYKG
KVFFQYSDLSEADLVAVKDAFGFDEPQLLKYYTMLGMCKWPVVVCGNYFA
FKQSNNNSYINVACLMLQHLSLKFPKWQWQEAWNEFRSGKPLRFVSLVLA
KGSFKFNEPSDSIDFMRVVLREADLSGATCNLEFVCKCGVKQEQRKGVDA
VMHFGTLDKGDLVRGYNIACTCGSKLVHCTQFNVPFLICSNTPEGRKLPD
DVVAANIFTGGSVGHYTHVKCKPKYQLYDACNVNKVSEAKGNFTDCLYLK
N

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 5wfi Chain A Residue 2005

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5wfi X-ray structure of MHV PLP2 (Cys1716Ser) catalytic mutant in complex with free ubiquitin
• Resolution: 1.851 Å
• Binding residue (original residue number in PDB): C1794 C1796 C1828 C1830
• Binding residue (residue number reindexed from 1): C186 C188 C220 C222
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.1.1.56: mRNA (guanine-N(7))-methyltransferase.
  2.1.1.57: methyltransferase cap1.
  2.7.7.48: RNA-directed RNA polymerase.
  2.7.7.50: mRNA guanylyltransferase.
  3.1.13.-
  3.4.19.12: ubiquitinyl hydrolase 1.
  3.4.22.-
  3.6.4.12: DNA helicase.
  3.6.4.13: RNA helicase.
  4.6.1.-

Gene Ontology

Molecular Function

• GO:0008234 cysteine-type peptidase activity

Biological Process

• GO:0006508 proteolysis

External links

• PDB: RCSB:5wfi, PDBe:5wfi, PDBj:5wfi
• PDBsum: 5wfi
• UniProt: P0C6X9|R1AB_CVMA5 Replicase polyprotein 1ab (Gene Name=rep)