PDB entry 3byz

View 3byz on RCSB PDB site
Description: 2-Amino-1,3-thiazol-4(5H)-ones as Potent and Selective 11-Hydroxysteroid Dehydrogenase Type 1 Inhibitors
Class: oxidoreductase
Keywords: alpha beta, 3-layer (aba) sandwich, rossmann fold, NAD(P)-binding rossmann-like domain. amino thiazole inhibitor, Endoplasmic reticulum, Glycoprotein, Lipid metabolism, Membrane, Microsome, NADP, Oxidoreductase, Polymorphism, Signal-anchor, Steroid metabolism, Transmembrane, ----
Deposited on 2008-01-16, released 2008-02-12
The last revision prior to the SCOPe 2.01 freeze date was dated 2009-02-24, with a file datestamp of 2009-03-01.
Experiment type: XRAY
Resolution: 2.69 Å
R-factor: 0.222
AEROSPACI score: 0.25 (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: HSD11B1, HSD11, HSD11L
    Database cross-references and differences (RAF-indexed):
    • Uniprot P28845 (7-End)
      • engineered (254)
    Domains in SCOPe 2.01: d3byza_
  • Chain 'B':
    Compound: Corticosteroid 11-beta-dehydrogenase isozyme 1
    Species: Homo sapiens [TaxId:9606]
    Gene: HSD11B1, HSD11, HSD11L
    Database cross-references and differences (RAF-indexed):
    • Uniprot P28845
      • engineered (254)
    Domains in SCOPe 2.01: d3byzb_
  • Chain 'C':
    Compound: Corticosteroid 11-beta-dehydrogenase isozyme 1
    Species: Homo sapiens [TaxId:9606]
    Gene: HSD11B1, HSD11, HSD11L
    Database cross-references and differences (RAF-indexed):
    • Uniprot P28845
      • engineered (254)
    Domains in SCOPe 2.01: d3byzc_
  • Chain 'D':
    Compound: Corticosteroid 11-beta-dehydrogenase isozyme 1
    Species: Homo sapiens [TaxId:9606]
    Gene: HSD11B1, HSD11, HSD11L
    Database cross-references and differences (RAF-indexed):
    • Uniprot P28845 (7-End)
      • engineered (254)
    Domains in SCOPe 2.01: d3byzd_
  • Heterogens: NDP, H11

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3byzA (A:)
    mhhhhhheefrpemlqgkkvivtgaskgigremayhlakmgahvvvtarsketlqkvvsh
    clelgaasahyiagtmedmtfaeqfvaqagklmggldmlilnhitntslnlfhddihhvr
    ksmevnflsyvvltvaalpmlkqsngsivvvsslagkvaypmvaaysaskfaldgffssi
    rkeysvsrvnvsitlcvlglidtetamkavsgivhmqaapkeecaleiikggalrqeevy
    ydsslwttllirnpsrkileflystsynmdrfink
    

    Sequence, based on observed residues (ATOM records): (download)
    >3byzA (A:)
    eefrpemlqgkkvivtgaskgigremayhlakmgahvvvtarsketlqkvvshclelgaa
    sahyiagtmedmtfaeqfvaqagklmggldmlilnhitntslnlfhddihhvrksmevnf
    lsyvvltvaalpmlkqsngsivvvsslagkvaypmvaaysaskfaldgffssirkeysvs
    rvnvsitlcvlglidtetamkavsgivhmqaapkeecaleiikggalrqeevyydsslwt
    tllirnpsrkileflyst
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3byzB (B:)
    mhhhhhheefrpemlqgkkvivtgaskgigremayhlakmgahvvvtarsketlqkvvsh
    clelgaasahyiagtmedmtfaeqfvaqagklmggldmlilnhitntslnlfhddihhvr
    ksmevnflsyvvltvaalpmlkqsngsivvvsslagkvaypmvaaysaskfaldgffssi
    rkeysvsrvnvsitlcvlglidtetamkavsgivhmqaapkeecaleiikggalrqeevy
    ydsslwttllirnpsrkileflystsynmdrfink
    

    Sequence, based on observed residues (ATOM records): (download)
    >3byzB (B:)
    frpemlqgkkvivtgaskgigremayhlakmgahvvvtarsketlqkvvshclelgaasa
    hyiagtmedmtfaeqfvaqagklmggldmlilnhitntslnlfhddihhvrksmevnfls
    yvvltvaalpmlkqsngsivvvsslagkvaypmvaaysaskfaldgffssirkeysvsrv
    nvsitlcvlglidtetamkavsgivhmqaapkeecaleiikggalrqeevyydsslwttl
    lirnpsrkileflys
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >3byzC (C:)
    mhhhhhheefrpemlqgkkvivtgaskgigremayhlakmgahvvvtarsketlqkvvsh
    clelgaasahyiagtmedmtfaeqfvaqagklmggldmlilnhitntslnlfhddihhvr
    ksmevnflsyvvltvaalpmlkqsngsivvvsslagkvaypmvaaysaskfaldgffssi
    rkeysvsrvnvsitlcvlglidtetamkavsgivhmqaapkeecaleiikggalrqeevy
    ydsslwttllirnpsrkileflystsynmdrfink
    

    Sequence, based on observed residues (ATOM records): (download)
    >3byzC (C:)
    efrpemlqgkkvivtgaskgigremayhlakmgahvvvtarsketlqkvvshclelgaas
    ahyiagtmedmtfaeqfvaqagklmggldmlilnhitntslnlfhddihhvrksmevnfl
    syvvltvaalpmlkqsngsivvvsslagkvaypmvaaysaskfaldgffssirkeysvsr
    vnvsitlcvlglidtetamkavsgivhmqaapkeecaleiikggalrqeevyydsslwtt
    llirnpsrkilefly
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >3byzD (D:)
    mhhhhhheefrpemlqgkkvivtgaskgigremayhlakmgahvvvtarsketlqkvvsh
    clelgaasahyiagtmedmtfaeqfvaqagklmggldmlilnhitntslnlfhddihhvr
    ksmevnflsyvvltvaalpmlkqsngsivvvsslagkvaypmvaaysaskfaldgffssi
    rkeysvsrvnvsitlcvlglidtetamkavsgivhmqaapkeecaleiikggalrqeevy
    ydsslwttllirnpsrkileflystsynmdrfink
    

    Sequence, based on observed residues (ATOM records): (download)
    >3byzD (D:)
    eefrpemlqgkkvivtgaskgigremayhlakmgahvvvtarsketlqkvvshclelgaa
    sahyiagtmedmtfaeqfvaqagklmggldmlilnhitntslnlfhddihhvrksmevnf
    lsyvvltvaalpmlkqsngsivvvsslagkvaypmvaaysaskfaldgffssirkeysvs
    rvnvsitlcvlglidtetamkavsgivhmqaapkeecaleiikggalrqeevyydsslwt
    tllirnpsrkileflystsyn