PDB entry 5qij

View 5qij on RCSB PDB site
Description: crystal structure of murine 11b- hydroxysteroiddehydrogenase complexed with 2-(3-(1-(4- chlorophenyl)cyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-8- yl)propan-2-ol
Class: oxidoreductase/oxidoreductase inhibitor
Keywords: 11B-HSD1, SDR, DEHYDROGENASE, HYDROXYSTEROID, INHIBITOR, OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex
Deposited on 2018-07-03, released 2018-12-19
The last revision prior to the SCOPe 2.07 freeze date was dated 2018-12-19, with a file datestamp of 2018-12-14.
Experiment type: XRAY
Resolution: 2.65 Å
R-factor: N/A
AEROSPACI score: 0.18 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Corticosteroid 11-beta-dehydrogenase isozyme 1
    Species: Mus musculus [TaxId:10090]
    Gene: Hsd11b1, Hsd11
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d5qija_
  • Chain 'B':
    Compound: Corticosteroid 11-beta-dehydrogenase isozyme 1
    Species: Mus musculus [TaxId:10090]
    Gene: Hsd11b1, Hsd11
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d5qijb_
  • Heterogens: NAP, HJG, SO4, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >5qijA (A:)
    mhhhhhhneefrpemlqgkkvivtgaskgigremayhlskmgahvvltarseeglqkvvs
    rclelgaasahyiagtmedmtfaeqfivkagklmggldmlilnhitqtslslfhddihsv
    rrvmevnflsyvvmstaalpmlkqsngsiavisslagkmtqpmiapysaskfaldgffst
    irtelyitkvnvsitlcvlglidtetamkeisgiinaqaspkeecaleiikgtalrksev
    yydkspltpillgnpgrkimeffslryynkdmfvsn
    

    Sequence, based on observed residues (ATOM records): (download)
    >5qijA (A:)
    eefrpemlqgkkvivtgaskgigremayhlskmgahvvltarseeglqkvvsrclelgaa
    sahyiagtmedmtfaeqfivkagklmggldmlilnhitqtslslfhddihsvrrvmevnf
    lsyvvmstaalpmlkqsngsiavisslagkmtqpmiapysaskfaldgffstirtelyit
    kvnvsitlcvlglidtetamkeisgiinaqaspkeecaleiikgtalrksevyydksplt
    pillgnpgrkimeffslryynkdmf
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >5qijB (B:)
    mhhhhhhneefrpemlqgkkvivtgaskgigremayhlskmgahvvltarseeglqkvvs
    rclelgaasahyiagtmedmtfaeqfivkagklmggldmlilnhitqtslslfhddihsv
    rrvmevnflsyvvmstaalpmlkqsngsiavisslagkmtqpmiapysaskfaldgffst
    irtelyitkvnvsitlcvlglidtetamkeisgiinaqaspkeecaleiikgtalrksev
    yydkspltpillgnpgrkimeffslryynkdmfvsn
    

    Sequence, based on observed residues (ATOM records): (download)
    >5qijB (B:)
    eefrpemlqgkkvivtgaskgigremayhlskmgahvvltarseeglqkvvsrclelgaa
    sahyiagtmedmtfaeqfivkagklmggldmlilnhitqtslslfhddihsvrrvmevnf
    lsyvvmstaalpmlkqsngsiavisslagkmtqpmiapysaskfaldgffstirtelyit
    kvnvsitlcvlglidtetamkeisgiinaqaspkeecaleiikgtalrksevyydksplt
    pillgnpgrkimeffslryynkdmf