PDB entry 1to1

View 1to1 on RCSB PDB site
Description: crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 Y61A mutant
Class: hydrolase
Keywords: serine protease, inhibitor, HYDROLASE
Deposited on 2004-06-11, released 2004-11-09
The last revision prior to the SCOPe 2.08 freeze date was dated 2017-10-11, with a file datestamp of 2017-10-06.
Experiment type: XRAY
Resolution: 1.68 Å
R-factor: N/A
AEROSPACI score: 0.41 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'E':
    Compound: subtilisin bpn'
    Species: Bacillus amyloliquefaciens [TaxId:1390]
    Gene: APR
    Database cross-references and differences (RAF-indexed):
    • Uniprot P00782 (0-274)
      • expression tag (275-280)
    Domains in SCOPe 2.08: d1to1e1, d1to1e2
  • Chain 'I':
    Compound: chymotrypsin inhibitor 2
    Species: Hordeum vulgare [TaxId:112509]
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q40059 (1-63)
      • initiating methionine (0)
      • engineered (41)
    Domains in SCOPe 2.08: d1to1i_
  • Heterogens: CA, NA, CIT, 1PE, HOH

PDB Chain Sequences:

  • Chain 'E':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >1to1E (E:)
aqsvpygvsqikapalhsqgytgsnvkvavidsgidsshpdlkvaggasmvpsetnpfqd
nnshgthvagtvaalnnsigvlgvapsaslyavkvlgadgsgqyswiingiewaiannmd
vinmslggpsgsaalkaavdkavasgvvvvaaagnegtsgssstvgypgkypsviavgav
dssnqrasfssvgpeldvmapgvsiqstlpgnkygayngtsmasphvagaaalilskhpn
wtntqvrsslentttklgdsfyygkglinvqaaaqhhhhhh

  • Chain 'I':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >1to1I (I:)
mktewpelvgksveeakkvilqdkpaaqiivlpvgtivtmearidrvrlfvdrldniaqv
prvg