PDB entry 3gmd

View 3gmd on RCSB PDB site
Description: Structure-based design of 7-Azaindole-pyrrolidines as inhibitors of 11beta-Hydroxysteroid-Dehydrogenase type I
Class: oxidoreductase/oxidoreductase inhibitor
Keywords: ALPHA/BETA, Endoplasmic reticulum, Glycoprotein, Lipid metabolism, Membrane, NADP, Oxidoreductase, Signal-anchor, Steroid metabolism, Transmembrane, OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR COMPLEX
Deposited on 2009-03-13, released 2010-11-17
The last revision prior to the SCOPe 2.01 freeze date was dated 2010-12-08, with a file datestamp of 2010-12-03.
Experiment type: XRAY
Resolution: 2.28 Å
R-factor: 0.254
AEROSPACI score: 0.32 (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: HSD11, HSD11B1, HSD11L
    Database cross-references and differences (RAF-indexed):
    • Uniprot P50172 (0-263)
      • engineered mutation (149)
      • engineered mutation (151)
      • engineered mutation (154)
      • engineered mutation (200-201)
      • engineered mutation (205)
    Domains in SCOPe 2.01: d3gmda_
  • Chain 'B':
    Compound: Corticosteroid 11-beta-dehydrogenase isozyme 1
    Species: Mus musculus [TaxId:10090]
    Gene: HSD11, HSD11B1, HSD11L
    Database cross-references and differences (RAF-indexed):
    • Uniprot P50172 (0-263)
      • engineered mutation (149)
      • engineered mutation (151)
      • engineered mutation (154)
      • engineered mutation (200-201)
      • engineered mutation (205)
    Domains in SCOPe 2.01: d3gmdb_
  • Chain 'C':
    Compound: Corticosteroid 11-beta-dehydrogenase isozyme 1
    Species: Mus musculus [TaxId:10090]
    Gene: HSD11, HSD11B1, HSD11L
    Database cross-references and differences (RAF-indexed):
    • Uniprot P50172 (0-263)
      • engineered mutation (149)
      • engineered mutation (151)
      • engineered mutation (154)
      • engineered mutation (200-201)
      • engineered mutation (205)
    Domains in SCOPe 2.01: d3gmdc_
  • Chain 'D':
    Compound: Corticosteroid 11-beta-dehydrogenase isozyme 1
    Species: Mus musculus [TaxId:10090]
    Gene: HSD11, HSD11B1, HSD11L
    Database cross-references and differences (RAF-indexed):
    • Uniprot P50172 (0-263)
      • engineered mutation (149)
      • engineered mutation (151)
      • engineered mutation (154)
      • engineered mutation (200-201)
      • engineered mutation (205)
    Domains in SCOPe 2.01: d3gmdd_
  • Chain 'E':
    Compound: Corticosteroid 11-beta-dehydrogenase isozyme 1
    Species: Mus musculus [TaxId:10090]
    Gene: HSD11, HSD11B1, HSD11L
    Database cross-references and differences (RAF-indexed):
    • Uniprot P50172 (0-263)
      • engineered mutation (149)
      • engineered mutation (151)
      • engineered mutation (154)
      • engineered mutation (200-201)
      • engineered mutation (205)
    Domains in SCOPe 2.01: d3gmde_
  • Chain 'F':
    Compound: Corticosteroid 11-beta-dehydrogenase isozyme 1
    Species: Mus musculus [TaxId:10090]
    Gene: HSD11, HSD11B1, HSD11L
    Database cross-references and differences (RAF-indexed):
    • Uniprot P50172 (0-263)
      • engineered mutation (149)
      • engineered mutation (151)
      • engineered mutation (154)
      • engineered mutation (200-201)
      • engineered mutation (205)
    Domains in SCOPe 2.01: d3gmdf_
  • Chain 'G':
    Compound: Corticosteroid 11-beta-dehydrogenase isozyme 1
    Species: Mus musculus [TaxId:10090]
    Gene: HSD11, HSD11B1, HSD11L
    Database cross-references and differences (RAF-indexed):
    • Uniprot P50172 (0-263)
      • engineered mutation (149)
      • engineered mutation (151)
      • engineered mutation (154)
      • engineered mutation (200-201)
      • engineered mutation (205)
    Domains in SCOPe 2.01: d3gmdg_
  • Chain 'H':
    Compound: Corticosteroid 11-beta-dehydrogenase isozyme 1
    Species: Mus musculus [TaxId:10090]
    Gene: HSD11, HSD11B1, HSD11L
    Database cross-references and differences (RAF-indexed):
    • Uniprot P50172 (0-263)
      • engineered mutation (149)
      • engineered mutation (151)
      • engineered mutation (154)
      • engineered mutation (200-201)
      • engineered mutation (205)
    Domains in SCOPe 2.01: d3gmdh_
  • Heterogens: NDP, 2M3, SO4, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >3gmdA (A:)
efrpemlqgkkvivtgaskgigremayhlskmgahvvltarseeglqkvvsrclelgaas
ahyiagtmedmtfaeqfivkagklmggldmlilnhitqtslslfhddihsvrrvmevnfl
syvvmstaalpmlkqsngsiavisslagkvtypmvapysaskfaldgffstirtelyitk
vnvsitlcvlglidtetamkavsgivnaqaspkeecaleiikgtalrksevyydkspltp
illgnpgrkimeffslryynkdmf

  • Chain 'B':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >3gmdB (B:)
efrpemlqgkkvivtgaskgigremayhlskmgahvvltarseeglqkvvsrclelgaas
ahyiagtmedmtfaeqfivkagklmggldmlilnhitqtslslfhddihsvrrvmevnfl
syvvmstaalpmlkqsngsiavisslagkvtypmvapysaskfaldgffstirtelyitk
vnvsitlcvlglidtetamkavsgivnaqaspkeecaleiikgtalrksevyydkspltp
illgnpgrkimeffslryynkdmf

  • Chain 'C':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >3gmdC (C:)
efrpemlqgkkvivtgaskgigremayhlskmgahvvltarseeglqkvvsrclelgaas
ahyiagtmedmtfaeqfivkagklmggldmlilnhitqtslslfhddihsvrrvmevnfl
syvvmstaalpmlkqsngsiavisslagkvtypmvapysaskfaldgffstirtelyitk
vnvsitlcvlglidtetamkavsgivnaqaspkeecaleiikgtalrksevyydkspltp
illgnpgrkimeffslryynkdmf

  • Chain 'D':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >3gmdD (D:)
efrpemlqgkkvivtgaskgigremayhlskmgahvvltarseeglqkvvsrclelgaas
ahyiagtmedmtfaeqfivkagklmggldmlilnhitqtslslfhddihsvrrvmevnfl
syvvmstaalpmlkqsngsiavisslagkvtypmvapysaskfaldgffstirtelyitk
vnvsitlcvlglidtetamkavsgivnaqaspkeecaleiikgtalrksevyydkspltp
illgnpgrkimeffslryynkdmf

  • Chain 'E':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >3gmdE (E:)
efrpemlqgkkvivtgaskgigremayhlskmgahvvltarseeglqkvvsrclelgaas
ahyiagtmedmtfaeqfivkagklmggldmlilnhitqtslslfhddihsvrrvmevnfl
syvvmstaalpmlkqsngsiavisslagkvtypmvapysaskfaldgffstirtelyitk
vnvsitlcvlglidtetamkavsgivnaqaspkeecaleiikgtalrksevyydkspltp
illgnpgrkimeffslryynkdmf

  • Chain 'F':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >3gmdF (F:)
efrpemlqgkkvivtgaskgigremayhlskmgahvvltarseeglqkvvsrclelgaas
ahyiagtmedmtfaeqfivkagklmggldmlilnhitqtslslfhddihsvrrvmevnfl
syvvmstaalpmlkqsngsiavisslagkvtypmvapysaskfaldgffstirtelyitk
vnvsitlcvlglidtetamkavsgivnaqaspkeecaleiikgtalrksevyydkspltp
illgnpgrkimeffslryynkdmf

  • Chain 'G':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >3gmdG (G:)
efrpemlqgkkvivtgaskgigremayhlskmgahvvltarseeglqkvvsrclelgaas
ahyiagtmedmtfaeqfivkagklmggldmlilnhitqtslslfhddihsvrrvmevnfl
syvvmstaalpmlkqsngsiavisslagkvtypmvapysaskfaldgffstirtelyitk
vnvsitlcvlglidtetamkavsgivnaqaspkeecaleiikgtalrksevyydkspltp
illgnpgrkimeffslryynkdmf

  • Chain 'H':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >3gmdH (H:)
efrpemlqgkkvivtgaskgigremayhlskmgahvvltarseeglqkvvsrclelgaas
ahyiagtmedmtfaeqfivkagklmggldmlilnhitqtslslfhddihsvrrvmevnfl
syvvmstaalpmlkqsngsiavisslagkvtypmvapysaskfaldgffstirtelyitk
vnvsitlcvlglidtetamkavsgivnaqaspkeecaleiikgtalrksevyydkspltp
illgnpgrkimeffslryynkdmf