PDB entry 3sji

View 3sji on RCSB PDB site
Description: crystal structure of CVA16 3C in complex with Rupintrivir (AG7088)
Class: hydrolase/hydrolase inhibitor
Keywords: in complex with Rupintrivir, Chymotrypsin-like fold, protease, C147 covalently binds to Rupintrivir, HYDROLASE-HYDROLASE INHIBITOR complex
Deposited on 2011-06-21, released 2011-08-10
The last revision prior to the SCOPe 2.08 freeze date was dated 2011-09-28, with a file datestamp of 2011-09-23.
Experiment type: XRAY
Resolution: 1.8 Å
R-factor: 0.181
AEROSPACI score: 0.5 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: 3C protease
    Species: Human coxsackievirus A16 [TaxId:31704]
    Gene: 3C
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d3sjia_
  • Heterogens: AG7, NA, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >3sjiA (A:)
mgpsldfalsllrrnirqvqtdqghftmlgvrdrlailprhsqpgktiwvehklinvlda
velvdeqgvnleltlvtldtnekfrdvtkfipetitgasdatliintehmpsmfvpvgdv
vqygflnlsgkpthrtmmynfptkagqcggvvtsvgkiigihiggngrqgfcaglkrgyf
aseqhhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >3sjiA (A:)
ldfalsllrrnirqvqtdqghftmlgvrdrlailprhsqpgktiwvehklinvldavelv
deqgvnleltlvtldtnekfrdvtkfipetitgasdatliintehmpsmfvpvgdvvqyg
flnlsgkpthrtmmynfptkagqcggvvtsvgkiigihiggngrqgfcaglkrgyfase