Structure of PDB 5tl7 Chain D Binding Site BS01

Receptor Information

>5tl7 Chain D (length=313)

KTIKVFTTVDNTNLHTQLVDMSMTYGQQFGPTYLDGADVTKIKPHVNHEG
KTFFVLPSDDTLRSEAFEYYHTLDESFLGRYMSALNHTKKWKFPQVGGLT
SIKWADNNCYLSSVLLALQQLEVKFNAPALQEAYYRARAGDAANFCALIL
AYSNKTVGELGDVRETMTHLLQHANLESAKRVLNVVCKHCGQKTTTLTGV
EAVMYMGTLSYDNLKTGVSIPCVCGRDATQYLVQQESSFVMMSAPPAEYK
LQQGTFLCANEYTGNYQCGHYTHITAKETLYRIDGAHLTKMSEYKGPVTD
VFYKETSYTTTIK

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: 5tl7 Chain D Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5tl7 Structural Insights into the Interaction of Coronavirus Papain-Like Proteases and Interferon-Stimulated Gene Product 15 from Different Species.
• Resolution: 2.44 Å
• Binding residue (original residue number in PDB): C190 C193 C225 C227
• Binding residue (residue number reindexed from 1): C187 C190 C222 C224
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.1.1.-
  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.-
  3.4.22.69: SARS coronavirus main proteinase.
  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:5tl7, PDBe:5tl7, PDBj:5tl7
• PDBsum: 5tl7
• PubMed: 28438633
• UniProt: P0C6X7|R1AB_SARS Replicase polyprotein 1ab (Gene Name=rep)