PDB entry 3ey4

View 3ey4 on RCSB PDB site
Description: Further studies with the 2-amino-1,3-thiazol-4(5H)-one class of 11-hydroxysteroid dehydrogenase type 1 (11-HSD1) inhibitors: Reducing pregnane X receptor (PXR) activity and exploring activity in a monkey pharmacodynamic model
Class: oxidoreductase
Keywords: Endoplasmic reticulum, Glycoprotein, Lipid metabolism, Membrane, NADP, Oxidoreductase, Polymorphism, Signal-anchor, Steroid metabolism, Transmembrane, Alpha Beta, 3-Layer(aba) Sandwich, Rossmann fold, NAD(P)-binding Rossmann-like Domain, inhibitor, drug design
Deposited on 2008-10-17, released 2008-11-11
The last revision prior to the SCOPe 2.08 freeze date was dated 2019-07-24, with a file datestamp of 2019-07-19.
Experiment type: XRAY
Resolution: 3 Å
R-factor: N/A
AEROSPACI score: 0.13 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: 11-beta-hydroxysteroid dehydrogenase 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 2.08: d3ey4a_
  • Chain 'B':
    Compound: 11-beta-hydroxysteroid dehydrogenase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: HSD11B1, HSD11, HSD11L
    Database cross-references and differences (RAF-indexed):
    • Uniprot P28845
      • engineered (254)
    Domains in SCOPe 2.08: d3ey4b_
  • Chain 'C':
    Compound: 11-beta-hydroxysteroid dehydrogenase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: HSD11B1, HSD11, HSD11L
    Database cross-references and differences (RAF-indexed):
    • Uniprot P28845
      • engineered (254)
    Domains in SCOPe 2.08: d3ey4c_
  • Chain 'D':
    Compound: 11-beta-hydroxysteroid dehydrogenase 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 2.08: d3ey4d_
  • Heterogens: NDP, 352

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >3ey4A (A:)
mhhhhhheefrpemlqgkkvivtgaskgigremayhlakmgahvvvtarsketlqkvvsh
clelgaasahyiagtmedmtfaeqfvaqagklmggldmlilnhitntslnlfhddihhvr
ksmevnflsyvvltvaalpmlkqsngsivvvsslagkvaypmvaaysaskfaldgffssi
rkeysvsrvnvsitlcvlglidtetamkavsgivhmqaapkeecaleiikggalrqeevy
ydsslwttllirnpsrkileflystsynmdrfink

    Sequence, based on observed residues (ATOM records): (download) 
    >3ey4A (A:)
eefrpemlqgkkvivtgaskgigremayhlakmgahvvvtarsketlqkvvshclelgaa
sahyiagtmedmtfaeqfvaqagklmggldmlilnhitntslnlfhddihhvrksmevnf
lsyvvltvaalpmlkqsngsivvvsslagkvaypmvaaysaskfaldgffssirkeysvs
rvnvsitlcvlglidtetamkavsgivhmqaapkeecaleiikggalrqeevyydsslwt
tllirnpsrkileflysts

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >3ey4B (B:)
mhhhhhheefrpemlqgkkvivtgaskgigremayhlakmgahvvvtarsketlqkvvsh
clelgaasahyiagtmedmtfaeqfvaqagklmggldmlilnhitntslnlfhddihhvr
ksmevnflsyvvltvaalpmlkqsngsivvvsslagkvaypmvaaysaskfaldgffssi
rkeysvsrvnvsitlcvlglidtetamkavsgivhmqaapkeecaleiikggalrqeevy
ydsslwttllirnpsrkileflystsynmdrfink

    Sequence, based on observed residues (ATOM records): (download) 
    >3ey4B (B:)
frpemlqgkkvivtgaskgigremayhlakmgahvvvtarsketlqkvvshclelgaasa
hyiagtmedmtfaeqfvaqagklmggldmlilnhitntslnlfhddihhvrksmevnfls
yvvltvaalpmlkqsngsivvvsslagkvaypmvaaysaskfaldgffssirkeysvsrv
nvsitlcvlglidtetamkavsgivhmqaapkeecaleiikggalrqeevyydsslwttl
lirnpsrkileflys

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >3ey4C (C:)
mhhhhhheefrpemlqgkkvivtgaskgigremayhlakmgahvvvtarsketlqkvvsh
clelgaasahyiagtmedmtfaeqfvaqagklmggldmlilnhitntslnlfhddihhvr
ksmevnflsyvvltvaalpmlkqsngsivvvsslagkvaypmvaaysaskfaldgffssi
rkeysvsrvnvsitlcvlglidtetamkavsgivhmqaapkeecaleiikggalrqeevy
ydsslwttllirnpsrkileflystsynmdrfink

    Sequence, based on observed residues (ATOM records): (download) 
    >3ey4C (C:)
efrpemlqgkkvivtgaskgigremayhlakmgahvvvtarsketlqkvvshclelgaas
ahyiagtmedmtfaeqfvaqagklmggldmlilnhitntslnlfhddihhvrksmevnfl
syvvltvaalpmlkqsngsivvvsslagkvaypmvaaysaskfaldgffssirkeysvsr
vnvsitlcvlglidtetamkavsgivhmqaapkeecaleiikggalrqeevyydsslwtt
llirnpsrkileflys

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >3ey4D (D:)
mhhhhhheefrpemlqgkkvivtgaskgigremayhlakmgahvvvtarsketlqkvvsh
clelgaasahyiagtmedmtfaeqfvaqagklmggldmlilnhitntslnlfhddihhvr
ksmevnflsyvvltvaalpmlkqsngsivvvsslagkvaypmvaaysaskfaldgffssi
rkeysvsrvnvsitlcvlglidtetamkavsgivhmqaapkeecaleiikggalrqeevy
ydsslwttllirnpsrkileflystsynmdrfink

    Sequence, based on observed residues (ATOM records): (download) 
    >3ey4D (D:)
eefrpemlqgkkvivtgaskgigremayhlakmgahvvvtarsketlqkvvshclelgaa
sahyiagtmedmtfaeqfvaqagklmggldmlilnhitntslnlfhddihhvrksmevnf
lsyvvltvaalpmlkqsngsivvvsslagkvaypmvaaysaskfaldgffssirkeysvs
rvnvsitlcvlglidtetamkavsgivhmqaapkeecaleiikggalrqeevyydsslwt
tllirnpsrkileflystsyn