PDB entry 4aba

View 4aba on RCSB PDB site
Description: Fragments bound to bovine trypsin for the SAMPL challenge
Class: hydrolase
Keywords: fragment screening, modelling, hydrolase
Deposited on 2011-12-08, released 2012-02-08
The last revision prior to the SCOPe 2.06 freeze date was dated 2014-02-05, with a file datestamp of 2014-01-31.
Experiment type: XRAY
Resolution: 1.25 Å
R-factor: 0.14283
AEROSPACI score: 0.73 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: cationic trypsin
    Species: Bos taurus [TaxId:9913]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d4abaa_
  • Heterogens: SO4, CA, EDO, DMS, SW1, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence; same for both SEQRES and ATOM records: (download)
    >4abaA (A:)
    ivggytcgantvpyqvslnsgyhfcggslinsqwvvsaahcyksgiqvrlgedninvveg
    neqfisasksivhpsynsntlnndimliklksaaslnsrvasislptscasagtqclisg
    wgntkssgtsypdvlkclkapilsdsscksaypgqitsnmfcagyleggkdscqgdsggp
    vvcsgklqgivswgsgcaqknkpgvytkvcnyvswikqtiasn