PDB entry 2rbe

View 2rbe on RCSB PDB site
Description: The discovery of 2-anilinothiazolones as 11beta-HSD1 inhibitors
Class: oxidoreductase
Keywords: Alpha Beta, 3-Layer(aba) Sandwich, Rossmann fold, NAD(P)-binding Rossmann-like Domain, Endoplasmic reticulum, Glycoprotein, Lipid metabolism, Membrane, Microsome, NADP, Oxidoreductase, Signal-anchor, Steroid metabolism, Transmembrane, Polymorphism
Deposited on 2007-09-18, released 2008-01-15
The last revision prior to the SCOP 1.75 freeze date was dated 2008-01-22, with a file datestamp of 2008-01-18.
Experiment type: XRAY
Resolution: 1.9 Å
R-factor: 0.219
AEROSPACI score: 0.54 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Corticosteroid 11-beta-dehydrogenase isozyme 1
    Species: HOMO SAPIENS
    Gene: HSD11B1, HSD11, HSD11L
    Database cross-references and differences (RAF-indexed):
    • Uniprot P28845 (7-End)
      • engineered (254)
    Domains in SCOP 1.75: d2rbea1
  • Chain 'B':
    Compound: Corticosteroid 11-beta-dehydrogenase isozyme 1
    Species: HOMO SAPIENS
    Gene: HSD11B1, HSD11, HSD11L
    Database cross-references and differences (RAF-indexed):
    • Uniprot P28845
      • engineered (254)
    Domains in SCOP 1.75: d2rbeb1
  • Chain 'C':
    Compound: Corticosteroid 11-beta-dehydrogenase isozyme 1
    Species: HOMO SAPIENS
    Gene: HSD11B1, HSD11, HSD11L
    Database cross-references and differences (RAF-indexed):
    • Uniprot P28845
      • engineered (254)
    Domains in SCOP 1.75: d2rbec1
  • Chain 'D':
    Compound: Corticosteroid 11-beta-dehydrogenase isozyme 1
    Species: HOMO SAPIENS
    Gene: HSD11B1, HSD11, HSD11L
    Database cross-references and differences (RAF-indexed):
    • Uniprot P28845 (7-End)
      • engineered (254)
    Domains in SCOP 1.75: d2rbed1
  • Heterogens: ZMG, NDP, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >2rbeA (A:)
    mhhhhhheefrpemlqgkkvivtgaskgigremayhlakmgahvvvtarsketlqkvvsh
    clelgaasahyiagtmedmtfaeqfvaqagklmggldmlilnhitntslnlfhddihhvr
    ksmevnflsyvvltvaalpmlkqsngsivvvsslagkvaypmvaaysaskfaldgffssi
    rkeysvsrvnvsitlcvlglidtetamkavsgivhmqaapkeecaleiikggalrqeevy
    ydsslwttllirnpsrkileflystsynmdrfink
    

    Sequence, based on observed residues (ATOM records): (download)
    >2rbeA (A:)
    eefrpemlqgkkvivtgaskgigremayhlakmgahvvvtarsketlqkvvshclelgaa
    sahyiagtmedmtfaeqfvaqagklmggldmlilnhitntslnlfhddihhvrksmevnf
    lsyvvltvaalpmlkqsngsivvvsslagkvaypmvaaysaskfaldgffssirkeysvs
    rvnvsitlcvlglidtetamkavsgivhmqaapkeecaleiikggalrqeevyydsslwt
    tllirnpsrkileflysty
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >2rbeB (B:)
    mhhhhhheefrpemlqgkkvivtgaskgigremayhlakmgahvvvtarsketlqkvvsh
    clelgaasahyiagtmedmtfaeqfvaqagklmggldmlilnhitntslnlfhddihhvr
    ksmevnflsyvvltvaalpmlkqsngsivvvsslagkvaypmvaaysaskfaldgffssi
    rkeysvsrvnvsitlcvlglidtetamkavsgivhmqaapkeecaleiikggalrqeevy
    ydsslwttllirnpsrkileflystsynmdrfink
    

    Sequence, based on observed residues (ATOM records): (download)
    >2rbeB (B:)
    frpemlqgkkvivtgaskgigremayhlakmgahvvvtarsketlqkvvshclelgaasa
    hyiagtmedmtfaeqfvaqagklmggldmlilnhitntslnlfhddihhvrksmevnfls
    yvvltvaalpmlkqsngsivvvsslagkvaypmvaaysaskfaldgffssirkeysvsrv
    nvsitlcvlglidtetamkavsgivhmqaapkeecaleiikggalrqeevyydsslwttl
    lirnpsrkileflys
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >2rbeC (C:)
    mhhhhhheefrpemlqgkkvivtgaskgigremayhlakmgahvvvtarsketlqkvvsh
    clelgaasahyiagtmedmtfaeqfvaqagklmggldmlilnhitntslnlfhddihhvr
    ksmevnflsyvvltvaalpmlkqsngsivvvsslagkvaypmvaaysaskfaldgffssi
    rkeysvsrvnvsitlcvlglidtetamkavsgivhmqaapkeecaleiikggalrqeevy
    ydsslwttllirnpsrkileflystsynmdrfink
    

    Sequence, based on observed residues (ATOM records): (download)
    >2rbeC (C:)
    efrpemlqgkkvivtgaskgigremayhlakmgahvvvtarsketlqkvvshclelgaas
    ahyiagtmedmtfaeqfvaqagklmggldmlilnhitntslnlfhddihhvrksmevnfl
    syvvltvaalpmlkqsngsivvvsslagkvaypmvaaysaskfaldgffssirkeysvsr
    vnvsitlcvlglidtetamkavsgivhmqaapkeecaleiikggalrqeevyydsslwtt
    llirnpsrkilefly
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >2rbeD (D:)
    mhhhhhheefrpemlqgkkvivtgaskgigremayhlakmgahvvvtarsketlqkvvsh
    clelgaasahyiagtmedmtfaeqfvaqagklmggldmlilnhitntslnlfhddihhvr
    ksmevnflsyvvltvaalpmlkqsngsivvvsslagkvaypmvaaysaskfaldgffssi
    rkeysvsrvnvsitlcvlglidtetamkavsgivhmqaapkeecaleiikggalrqeevy
    ydsslwttllirnpsrkileflystsynmdrfink
    

    Sequence, based on observed residues (ATOM records): (download)
    >2rbeD (D:)
    eefrpemlqgkkvivtgaskgigremayhlakmgahvvvtarsketlqkvvshclelgaa
    sahyiagtmedmtfaeqfvaqagklmggldmlilnhitntslnlfhddihhvrksmevnf
    lsyvvltvaalpmlkqsngsivvvsslagkvaypmvaaysaskfaldgffssirkeysvs
    rvnvsitlcvlglidtetamkavsgivhmqaapkeecaleiikggalrqeevyydsslwt
    tllirnpsrkileflystsyn