PDB entry 3h6k

View 3h6k on RCSB PDB site
Description: Crystal Structure of Human 11-beta-hydroxysteroid-dehydrogenase Bound to an Ortho-chlro-sulfonyl-piperazine Inhibitor
Class: Oxidoreductase
Keywords: OXIDOREDUCTASE, HSD1, NADP, inhibitor, Endoplasmic reticulum, Glycoprotein, Lipid metabolism, Membrane, Polymorphism, Signal-anchor, Steroid metabolism, Transmembrane
Deposited on 2009-04-23, released 2009-12-01
The last revision prior to the SCOPe 2.01 freeze date was dated 2009-12-01, with a file datestamp of 2009-11-27.
Experiment type: XRAY
Resolution: 2.19 Å
R-factor: 0.194
AEROSPACI score: 0.37 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Corticosteroid 11-beta-dehydrogenase isozyme 1
    Species: Homo sapiens [TaxId:9606]
    Gene: HSD11, HSD11B1, HSD11L
    Database cross-references and differences (RAF-indexed):
    • Uniprot P28845
      • engineered (265)
    Domains in SCOPe 2.01: d3h6ka_
  • Chain 'B':
    Compound: Corticosteroid 11-beta-dehydrogenase isozyme 1
    Species: Homo sapiens [TaxId:9606]
    Gene: HSD11, HSD11B1, HSD11L
    Database cross-references and differences (RAF-indexed):
    • Uniprot P28845 (17-End)
      • expression tag (15-16)
      • engineered (265)
    Domains in SCOPe 2.01: d3h6kb_
  • Chain 'C':
    Compound: Corticosteroid 11-beta-dehydrogenase isozyme 1
    Species: Homo sapiens [TaxId:9606]
    Gene: HSD11, HSD11B1, HSD11L
    Database cross-references and differences (RAF-indexed):
    • Uniprot P28845 (17-End)
      • engineered (265)
    Domains in SCOPe 2.01: d3h6kc_
  • Chain 'D':
    Compound: Corticosteroid 11-beta-dehydrogenase isozyme 1
    Species: Homo sapiens [TaxId:9606]
    Gene: HSD11, HSD11B1, HSD11L
    Database cross-references and differences (RAF-indexed):
    • Uniprot P28845
      • engineered (265)
    Domains in SCOPe 2.01: d3h6kd_
  • Heterogens: NAP, 33T, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3h6kA (A:)
    mkhqhqhqhqhqhqqplneefrpemlqgkkvivtgaskgigremayhlakmgahvvvtar
    sketlqkvvshclelgaasahyiagtmedmtfaeqfvaqagklmggldmlilnhitntsl
    nlfhddihhvrksmevnflsyvvltvaalpmlkqsngsivvvsslagkvaypmvaaysas
    kfaldgffssirkeysvsrvnvsitlcvlglidtetamkavsgivhmqaapkeecaleii
    kggalrqeevyydsslwttllirnpsrkileflystsynmdrfink
    

    Sequence, based on observed residues (ATOM records): (download)
    >3h6kA (A:)
    efrpemlqgkkvivtgaskgigremayhlakmgahvvvtarsketlqkvvshclelgaas
    ahyiagtmedmtfaeqfvaqagklmggldmlilnhitntslnlfhddihhvrksmevnfl
    syvvltvaalpmlkqsngsivvvsslagkvaypmvaaysaskfaldgffssirkeysvsr
    vnvsitlcvlglidtetamkavsgivhmqaapkeecaleiikggalrqeevyydsslwtt
    llirnpsrkileflystsyn
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3h6kB (B:)
    mkhqhqhqhqhqhqqplneefrpemlqgkkvivtgaskgigremayhlakmgahvvvtar
    sketlqkvvshclelgaasahyiagtmedmtfaeqfvaqagklmggldmlilnhitntsl
    nlfhddihhvrksmevnflsyvvltvaalpmlkqsngsivvvsslagkvaypmvaaysas
    kfaldgffssirkeysvsrvnvsitlcvlglidtetamkavsgivhmqaapkeecaleii
    kggalrqeevyydsslwttllirnpsrkileflystsynmdrfink
    

    Sequence, based on observed residues (ATOM records): (download)
    >3h6kB (B:)
    plneefrpemlqgkkvivtgaskgigremayhlakmgahvvvtarsketlqkvvshclel
    gaasahyiagtmedmtfaeqfvaqagklmggldmlilnhitntslnlfhddihhvrksme
    vnflsyvvltvaalpmlkqsngsivvvsslagkvaypmvaaysaskfaldgffssirkey
    svsrvnvsitlcvlglidtetamkavsgivhmqaapkeecaleiikggalrqeevyydss
    lwttllirnpsrkileflyst
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >3h6kC (C:)
    mkhqhqhqhqhqhqqplneefrpemlqgkkvivtgaskgigremayhlakmgahvvvtar
    sketlqkvvshclelgaasahyiagtmedmtfaeqfvaqagklmggldmlilnhitntsl
    nlfhddihhvrksmevnflsyvvltvaalpmlkqsngsivvvsslagkvaypmvaaysas
    kfaldgffssirkeysvsrvnvsitlcvlglidtetamkavsgivhmqaapkeecaleii
    kggalrqeevyydsslwttllirnpsrkileflystsynmdrfink
    

    Sequence, based on observed residues (ATOM records): (download)
    >3h6kC (C:)
    neefrpemlqgkkvivtgaskgigremayhlakmgahvvvtarsketlqkvvshclelga
    asahyiagtmedmtfaeqfvaqagklmggldmlilnhitntslnlfhddihhvrksmevn
    flsyvvltvaalpmlkqsngsivvvsslagkvaypmvaaysaskfaldgffssirkeysv
    srvnvsitlcvlglidtetamkavsgivhmqaapkeecaleiikggalrqeevyydsslw
    ttllirnpsrkileflysts
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >3h6kD (D:)
    mkhqhqhqhqhqhqqplneefrpemlqgkkvivtgaskgigremayhlakmgahvvvtar
    sketlqkvvshclelgaasahyiagtmedmtfaeqfvaqagklmggldmlilnhitntsl
    nlfhddihhvrksmevnflsyvvltvaalpmlkqsngsivvvsslagkvaypmvaaysas
    kfaldgffssirkeysvsrvnvsitlcvlglidtetamkavsgivhmqaapkeecaleii
    kggalrqeevyydsslwttllirnpsrkileflystsynmdrfink
    

    Sequence, based on observed residues (ATOM records): (download)
    >3h6kD (D:)
    efrpemlqgkkvivtgaskgigremayhlakmgahvvvtarsketlqkvvshclelgaas
    ahyiagtmedmtfaeqfvaqagklmggldmlilnhitntslnlfhddihhvrksmevnfl
    syvvltvaalpmlkqsngsivvvsslagkvaypmvaaysaskfaldgffssirkeysvsr
    vnvsitlcvlglidtetamkavsgivhmqaapkeecaleiikggalrqeevyydsslwtt
    llirnpsrkileflys