PDB entry 4bb5

View 4bb5 on RCSB PDB site
Description: Free-Wilson and Structural Approaches to Co-optimising Human and Rodent Isoform Potency for 11b-Hydroxysteroid Dehydrogenase Type 1 11b-HSD1 Inhibitors
Class: oxidoreductase
Keywords: oxidoreductase
Deposited on 2012-09-20, released 2012-11-28
The last revision prior to the SCOPe 2.07 freeze date was dated 2012-12-26, with a file datestamp of 2012-12-21.
Experiment type: XRAY
Resolution: 2.2 Å
R-factor: 0.1843
AEROSPACI score: 0.41 (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
      • conflict (178)
      • conflict (261)
      • conflict (271)
      • conflict (277)
    Domains in SCOPe 2.07: d4bb5a_
  • Chain 'B':
    Compound: Corticosteroid 11-beta-dehydrogenase isozyme 1
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed):
    • Uniprot P28845
      • conflict (178)
      • conflict (261)
      • conflict (271)
      • conflict (277)
    Domains in SCOPe 2.07: d4bb5b_
  • Chain 'C':
    Compound: Corticosteroid 11-beta-dehydrogenase isozyme 1
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed):
    • Uniprot P28845
      • conflict (178)
      • conflict (261)
      • conflict (271)
      • conflict (277)
    Domains in SCOPe 2.07: d4bb5c_
  • Chain 'D':
    Compound: Corticosteroid 11-beta-dehydrogenase isozyme 1
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed):
    • Uniprot P28845
      • conflict (178)
      • conflict (261)
      • conflict (271)
      • conflict (277)
    Domains in SCOPe 2.07: d4bb5d_
  • Heterogens: NAP, HD2, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4bb5A (A:)
    mafmkkyllpilglfmayyyysaneefrpemlqgkkvivtgaskgigremayhlakmgah
    vvvtarsketlqkvvshclelgaasahyiagtmedmtfaeqfvaqagklmggldmlilnh
    itntslnlfhddihhvrksmevnflsyvvltvaalpmlkqsngsivvvsslagkvayplv
    aaysaskfaldgffssirkeysvsrvnvsitlcvlglidtetamkavsgivhmqaapkee
    caleiikggalrqeevyydssrwttllirnpsrkileelystsynmdrfink
    

    Sequence, based on observed residues (ATOM records): (download)
    >4bb5A (A:)
    frpemlqgkkvivtgaskgigremayhlakmgahvvvtarsketlqkvvshclelgaasa
    hyiagtmedmtfaeqfvaqagklmggldmlilnhitntslnlfhddihhvrksmevnfls
    yvvltvaalpmlkqsngsivvvsslagkvayplvaaysaskfaldgffssirkeysvsrv
    nvsitlcvlglidtetamkavsgivhmqaapkeecaleiikggalrqeevyydssrwttl
    lirnpsrkileelystsynmdrf
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4bb5B (B:)
    mafmkkyllpilglfmayyyysaneefrpemlqgkkvivtgaskgigremayhlakmgah
    vvvtarsketlqkvvshclelgaasahyiagtmedmtfaeqfvaqagklmggldmlilnh
    itntslnlfhddihhvrksmevnflsyvvltvaalpmlkqsngsivvvsslagkvayplv
    aaysaskfaldgffssirkeysvsrvnvsitlcvlglidtetamkavsgivhmqaapkee
    caleiikggalrqeevyydssrwttllirnpsrkileelystsynmdrfink
    

    Sequence, based on observed residues (ATOM records): (download)
    >4bb5B (B:)
    efrpemlqgkkvivtgaskgigremayhlakmgahvvvtarsketlqkvvshclelgaas
    ahyiagtmedmtfaeqfvaqagklmggldmlilnhitntslnlfhddihhvrksmevnfl
    syvvltvaalpmlkqsngsivvvsslagkvayplvaaysaskfaldgffssirkeysvsr
    vnvsitlcvlglidtetamkavsgivhmqaapkeecaleiikggalrqeevyydssrwtt
    llirnpsrkileelystsynmdrf
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >4bb5C (C:)
    mafmkkyllpilglfmayyyysaneefrpemlqgkkvivtgaskgigremayhlakmgah
    vvvtarsketlqkvvshclelgaasahyiagtmedmtfaeqfvaqagklmggldmlilnh
    itntslnlfhddihhvrksmevnflsyvvltvaalpmlkqsngsivvvsslagkvayplv
    aaysaskfaldgffssirkeysvsrvnvsitlcvlglidtetamkavsgivhmqaapkee
    caleiikggalrqeevyydssrwttllirnpsrkileelystsynmdrfink
    

    Sequence, based on observed residues (ATOM records): (download)
    >4bb5C (C:)
    efrpemlqgkkvivtgaskgigremayhlakmgahvvvtarsketlqkvvshclelgaas
    ahyiagtmedmtfaeqfvaqagklmggldmlilnhitntslnlfhddihhvrksmevnfl
    syvvltvaalpmlkqsngsivvvsslagkvayplvaaysaskfaldgffssirkeysvsr
    vnvsitlcvlglidtetamkavsgivhmqaapkeecaleiikggalrqeevyydssrwtt
    llirnpsrkileel
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >4bb5D (D:)
    mafmkkyllpilglfmayyyysaneefrpemlqgkkvivtgaskgigremayhlakmgah
    vvvtarsketlqkvvshclelgaasahyiagtmedmtfaeqfvaqagklmggldmlilnh
    itntslnlfhddihhvrksmevnflsyvvltvaalpmlkqsngsivvvsslagkvayplv
    aaysaskfaldgffssirkeysvsrvnvsitlcvlglidtetamkavsgivhmqaapkee
    caleiikggalrqeevyydssrwttllirnpsrkileelystsynmdrfink
    

    Sequence, based on observed residues (ATOM records): (download)
    >4bb5D (D:)
    efrpemlqgkkvivtgaskgigremayhlakmgahvvvtarsketlqkvvshclelgaas
    ahyiagtmedmtfaeqfvaqagklmggldmlilnhitntslnlfhddihhvrksmevnfl
    syvvltvaalpmlkqsngsivvvsslagkvayplvaaysaskfaldgffssirkeysvsr
    vnvsitlcvlglidtetamkavsgmqaapkeecaleiikggalrqeevyydssrwttlli
    rnpsrkileelystsynmdrfi