PDB entry 4cdl

View 4cdl on RCSB PDB site
Description: Crystal Structure of Retro-aldolase RA110.4-6 Complexed with Inhibitor 1-(6-methoxy-2-naphthalenyl)-1,3-butanedione
Class: isomerase
Keywords: isomerase, computational protein design, catalysis, directed evolution, protein engineering, enzyme engineering
Deposited on 2013-11-01, released 2014-11-12
The last revision prior to the SCOPe 2.08 freeze date was dated 2019-10-23, with a file datestamp of 2019-10-18.
Experiment type: XRAY
Resolution: 2.5 Å
R-factor: N/A
AEROSPACI score: 0.22 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: steroid delta-isomerase
    Species: Pseudomonas putida [TaxId:303]
    Database cross-references and differences (RAF-indexed):
    • Uniprot P07445
      • conflict (15)
      • engineered mutation (37)
      • conflict (39)
      • engineered mutation (55)
      • engineered mutation (58-59)
      • engineered mutation (65)
      • conflict (67)
      • engineered mutation (68)
      • engineered mutation (76)
      • engineered mutation (82)
      • engineered mutation (84-85)
      • engineered mutation (87)
      • engineered mutation (89)
      • engineered mutation (98)
      • engineered mutation (102)
      • engineered mutation (109)
      • engineered mutation (115)
      • engineered mutation (117)
      • engineered mutation (125)
    Domains in SCOPe 2.08: d4cdla_
  • Heterogens: LLK, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4cdlA (A:)
    mnlptaqevqglmarfielvdvgdieaivqmyaddatiespfgqppihgreqiaahyrkw
    lgggklrvyltgpvranhngcgtmllrkewvwngqpcatdvilvmrfdeqgriqteqryw
    sevnlcvrepqgslehhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >4cdlA (A:)
    nlptaqevqglmarfielvdvgdieaivqmyaddatiespfgqppihgreqiaahyrkwl
    gggklrvyltgpvranhngcgtmllrkewvwngqpcatdvilvmrfdeqgriqteqryws
    evnlcv