PDB entry 4nmh

View 4nmh on RCSB PDB site
Description: 11-beta-HSD1 in complex with a 3,3-Di-methyl-azetidin-2-one
Class: oxidoreductase/oxidoreductase INHIBITOR
Keywords: NAD(P)-binding Rossmann-fold domains, OXIDOREDUCTASE, oxidoreductase-oxidoreductase INHIBITOR complex
Deposited on 2013-11-15, released 2014-03-26
The last revision prior to the SCOPe 2.06 freeze date was dated 2014-03-26, with a file datestamp of 2014-03-21.
Experiment type: XRAY
Resolution: 2.9 Å
R-factor: 0.201
AEROSPACI score: 0.2 (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):
    • Uniprot P50172
      • engineered mutation (178)
      • engineered mutation (180)
      • engineered mutation (183)
    Domains in SCOPe 2.06: d4nmha_
  • Chain 'B':
    Compound: Corticosteroid 11-beta-dehydrogenase isozyme 1
    Species: Mus musculus [TaxId:10090]
    Gene: Hsd11b1, Hsd11
    Database cross-references and differences (RAF-indexed):
    • Uniprot P50172
      • engineered mutation (178)
      • engineered mutation (180)
      • engineered mutation (183)
    Domains in SCOPe 2.06: d4nmhb_
  • Chain 'C':
    Compound: Corticosteroid 11-beta-dehydrogenase isozyme 1
    Species: Mus musculus [TaxId:10090]
    Gene: Hsd11b1, Hsd11
    Database cross-references and differences (RAF-indexed):
    • Uniprot P50172
      • engineered mutation (178)
      • engineered mutation (180)
      • engineered mutation (183)
    Domains in SCOPe 2.06: d4nmhc_
  • Chain 'D':
    Compound: Corticosteroid 11-beta-dehydrogenase isozyme 1
    Species: Mus musculus [TaxId:10090]
    Gene: Hsd11b1, Hsd11
    Database cross-references and differences (RAF-indexed):
    • Uniprot P50172
      • engineered mutation (178)
      • engineered mutation (180)
      • engineered mutation (183)
    Domains in SCOPe 2.06: d4nmhd_
  • Heterogens: 2KG, NDP, SO4, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4nmhA (A:)
msyyhhhhhhdydipttenlyfqgamgneefrpemlqgkkvivtgaskgigremayhlsk
mgahvvltarseeglqkvvsrclelgaasahyiagtmedmtfaeqfivkagklmggldml
ilnhitqtslslfhddihsvrrvmevnflsyvvmstaalpmlkqsngsiavisslagkvt
ypmvapysaskfaldgffstirtelyitkvnvsitlcvlglidtetamkeisgiinaqas
pkeecaleiikgtalrksevyydkspltpillgnpgrkimeffslryynkdmfvsn

    Sequence, based on observed residues (ATOM records): (download) 
    >4nmhA (A:)
eefrpemlqgkkvivtgaskgigremayhlskmgahvvltarseeglqkvvsrclelgaa
sahyiagtmedmtfaeqfivkagklmggldmlilnhitqtslslfhddihsvrrvmevnf
lsyvvmstaalpmlkqsngsiavisslagkvtypmvapysaskfaldgffstirtelyit
kvnvsitlcvlglidtetamkeisgiinaqaspkeecaleiikgtalrksevyydksplt
pillgnpgrkimeffslryynkdmf

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >4nmhB (B:)
msyyhhhhhhdydipttenlyfqgamgneefrpemlqgkkvivtgaskgigremayhlsk
mgahvvltarseeglqkvvsrclelgaasahyiagtmedmtfaeqfivkagklmggldml
ilnhitqtslslfhddihsvrrvmevnflsyvvmstaalpmlkqsngsiavisslagkvt
ypmvapysaskfaldgffstirtelyitkvnvsitlcvlglidtetamkeisgiinaqas
pkeecaleiikgtalrksevyydkspltpillgnpgrkimeffslryynkdmfvsn

    Sequence, based on observed residues (ATOM records): (download) 
    >4nmhB (B:)
efrpemlqgkkvivtgaskgigremayhlskmgahvvltarseeglqkvvsrclelgaas
ahyiagtmedmtfaeqfivkagklmggldmlilnhitqtslslfhddihsvrrvmevnfl
syvvmstaalpmlkqsngsiavisslagkvtypmvapysaskfaldgffstirtelyitk
vnvsitlcvlglidtetamkeisgiinaqaspkeecaleiikgtalrksevyydkspltp
illgnpgrkimeffslryynkdmf

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >4nmhC (C:)
msyyhhhhhhdydipttenlyfqgamgneefrpemlqgkkvivtgaskgigremayhlsk
mgahvvltarseeglqkvvsrclelgaasahyiagtmedmtfaeqfivkagklmggldml
ilnhitqtslslfhddihsvrrvmevnflsyvvmstaalpmlkqsngsiavisslagkvt
ypmvapysaskfaldgffstirtelyitkvnvsitlcvlglidtetamkeisgiinaqas
pkeecaleiikgtalrksevyydkspltpillgnpgrkimeffslryynkdmfvsn

    Sequence, based on observed residues (ATOM records): (download) 
    >4nmhC (C:)
eefrpemlqgkkvivtgaskgigremayhlskmgahvvltarseeglqkvvsrclelgaa
sahyiagtmedmtfaeqfivkagklmggldmlilnhitqtslslfhddihsvrrvmevnf
lsyvvmstaalpmlkqsngsiavisslagkvtypmvapysaskfaldgffstirtelyit
kvnvsitlcvlglidtetamkeisgiinaqaspkeecaleiikgtalrksevyydksplt
pillgnpgrkimeffslryynkdmf

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >4nmhD (D:)
msyyhhhhhhdydipttenlyfqgamgneefrpemlqgkkvivtgaskgigremayhlsk
mgahvvltarseeglqkvvsrclelgaasahyiagtmedmtfaeqfivkagklmggldml
ilnhitqtslslfhddihsvrrvmevnflsyvvmstaalpmlkqsngsiavisslagkvt
ypmvapysaskfaldgffstirtelyitkvnvsitlcvlglidtetamkeisgiinaqas
pkeecaleiikgtalrksevyydkspltpillgnpgrkimeffslryynkdmfvsn

    Sequence, based on observed residues (ATOM records): (download) 
    >4nmhD (D:)
efrpemlqgkkvivtgaskgigremayhlskmgahvvltarseeglqkvvsrclelgaas
ahyiagtmedmtfaeqfivkagklmggldmlilnhitqtslslfhddihsvrrvmevnfl
syvvmstaalpmlkqsngsiavisslagkvtypmvapysaskfaldgffstirtelyitk
vnvsitlcvlglidtetamkeisgiinaqaspkeecaleiikgtalrksevyydkspltp
illgnpgrkimeffslryynkdmf