PDB entry 4c7j

View 4c7j on RCSB PDB site
Description: 11b-Hydroxysteroid Dehydrogenase Type I in complex with inhibitor
Class: oxidoreductase
Keywords: oxidoreductase, cns penetration, structure-based design
Deposited on 2013-09-23, released 2014-09-03
The last revision prior to the SCOPe 2.07 freeze date was dated 2014-09-03, with a file datestamp of 2014-08-29.
Experiment type: XRAY
Resolution: 2.16 Å
R-factor: 0.17718
AEROSPACI score: 0.34 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Corticosteroid 11-beta-dehydrogenase isozyme 1
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed):
    • Uniprot P28845
      • engineered mutation (155)
      • engineered mutation (238)
      • engineered mutation (248)
      • engineered mutation (254)
    Domains in SCOPe 2.07: d4c7ja_
  • Chain 'B':
    Compound: Corticosteroid 11-beta-dehydrogenase isozyme 1
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed):
    • Uniprot P28845
      • engineered mutation (155)
      • engineered mutation (238)
      • engineered mutation (248)
      • engineered mutation (254)
    Domains in SCOPe 2.07: d4c7jb_
  • Chain 'C':
    Compound: Corticosteroid 11-beta-dehydrogenase isozyme 1
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed):
    • Uniprot P28845
      • engineered mutation (155)
      • engineered mutation (238)
      • engineered mutation (248)
      • engineered mutation (254)
    Domains in SCOPe 2.07: d4c7jc_
  • Chain 'D':
    Compound: Corticosteroid 11-beta-dehydrogenase isozyme 1
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed):
    • Uniprot P28845
      • engineered mutation (155)
      • engineered mutation (238)
      • engineered mutation (248)
      • engineered mutation (254)
    Domains in SCOPe 2.07: d4c7jd_
  • Heterogens: NAP, 4YQ, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4c7jA (A:)
    neefrpemlqgkkvivtgaskgigremayhlakmgahvvvtarsketlqkvvshclelga
    asahyiagtmedmtfaeqfvaqagklmggldmlilnhitntslnlfhddihhvrksmevn
    flsyvvltvaalpmlkqsngsivvvsslagkvayplvaaysaskfaldgffssirkeysv
    srvnvsitlcvlglidtetamkavsgivhmqaapkeecaleiikggalrqeevyydssrw
    ttllirnpsrkileelystsynmdrfink
    

    Sequence, based on observed residues (ATOM records): (download)
    >4c7jA (A:)
    efrpemlqgkkvivtgaskgigremayhlakmgahvvvtarsketlqkvvshclelgaas
    ahyiagtmedmtfaeqfvaqagklmggldmlilnhitntslnlfhddihhvrksmevnfl
    syvvltvaalpmlkqsngsivvvsslagkvayplvaaysaskfaldgffssirkeysvsr
    vnvsitlcvlglidtetamkavsgivhmqaapkeecaleiikggalrqeevyydssrwtt
    llirnpsrkileelystsyn
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4c7jB (B:)
    neefrpemlqgkkvivtgaskgigremayhlakmgahvvvtarsketlqkvvshclelga
    asahyiagtmedmtfaeqfvaqagklmggldmlilnhitntslnlfhddihhvrksmevn
    flsyvvltvaalpmlkqsngsivvvsslagkvayplvaaysaskfaldgffssirkeysv
    srvnvsitlcvlglidtetamkavsgivhmqaapkeecaleiikggalrqeevyydssrw
    ttllirnpsrkileelystsynmdrfink
    

    Sequence, based on observed residues (ATOM records): (download)
    >4c7jB (B:)
    efrpemlqgkkvivtgaskgigremayhlakmgahvvvtarsketlqkvvshclelgaas
    ahyiagtmedmtfaeqfvaqagklmggldmlilnhitntslnlfhddihhvrksmevnfl
    syvvltvaalpmlkqsngsivvvsslagkvayplvaaysaskfaldgffssirkeysvsr
    vnvsitlcvlglidtetamkavsgivhmqaapkeecaleiikggalrqeevyydssrwtt
    llirnpsrkileelystsynmdrfin
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >4c7jC (C:)
    neefrpemlqgkkvivtgaskgigremayhlakmgahvvvtarsketlqkvvshclelga
    asahyiagtmedmtfaeqfvaqagklmggldmlilnhitntslnlfhddihhvrksmevn
    flsyvvltvaalpmlkqsngsivvvsslagkvayplvaaysaskfaldgffssirkeysv
    srvnvsitlcvlglidtetamkavsgivhmqaapkeecaleiikggalrqeevyydssrw
    ttllirnpsrkileelystsynmdrfink
    

    Sequence, based on observed residues (ATOM records): (download)
    >4c7jC (C:)
    efrpemlqgkkvivtgaskgigremayhlakmgahvvvtarsketlqkvvshclelgaas
    ahyiagtmedmtfaeqfvaqagklmggldmlilnhitntslnlfhddihhvrksmevnfl
    syvvltvaalpmlkqsngsivvvsslagkvayplvaaysaskfaldgffssirkeysvsr
    vnvsitlcvlglidtetamkavsgivhmqaapkeecaleiikggalrqeevyydssrwtt
    llirnpsrkileelys
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >4c7jD (D:)
    neefrpemlqgkkvivtgaskgigremayhlakmgahvvvtarsketlqkvvshclelga
    asahyiagtmedmtfaeqfvaqagklmggldmlilnhitntslnlfhddihhvrksmevn
    flsyvvltvaalpmlkqsngsivvvsslagkvayplvaaysaskfaldgffssirkeysv
    srvnvsitlcvlglidtetamkavsgivhmqaapkeecaleiikggalrqeevyydssrw
    ttllirnpsrkileelystsynmdrfink
    

    Sequence, based on observed residues (ATOM records): (download)
    >4c7jD (D:)
    efrpemlqgkkvivtgaskgigremayhlakmgahvvvtarsketlqkvvshclelgaas
    ahyiagtmedmtfaeqfvaqagklmggldmlilnhitntslnlfhddihhvrksmevnfl
    syvvltvaalpmlkqsngsivvvsslagkvayplvaaysaskfaldgffssirkeysvsr
    vnvsitlcvlglidtetamkavshmqaapkeecaleiikggalrqeevyydssrwttlli
    rnpsrkileelyst