PDB entry 4hx5

View 4hx5 on RCSB PDB site
Description: Crystal structure of 11 beta-HSD1 in complex with SAR184841
Class: oxidoreductase/oxidoreductase inhibitor
Keywords: 11beta, hydroxysteroid, dehydrogenase, oxidoreductase-oxidoreductase inhibitor complex
Deposited on 2012-11-09, released 2013-05-08
The last revision prior to the SCOPe 2.08 freeze date was dated 2013-06-12, with a file datestamp of 2013-06-07.
Experiment type: XRAY
Resolution: 2.19 Å
R-factor: 0.163
AEROSPACI score: 0.42 (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
      • engineered mutation (265)
    Domains in SCOPe 2.08: d4hx5a_
  • 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 (17-End)
      • expression tag (13-16)
      • engineered mutation (265)
    Domains in SCOPe 2.08: d4hx5b1, d4hx5b2
  • 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 (17-End)
      • expression tag (14-16)
      • engineered mutation (265)
    Domains in SCOPe 2.08: d4hx5c1, d4hx5c2
  • 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 (17-End)
      • expression tag (13-16)
      • engineered mutation (265)
    Domains in SCOPe 2.08: d4hx5d1, d4hx5d2
  • Heterogens: 19V, NDP, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4hx5A (A:)
mkhqhqhqhqhqhqqplneefrpemlqgkkvivtgaskgigremayhlakmgahvvvtar
sketlqkvvshclelgaasahyiagtmedmtfaeqfvaqagklmggldmlilnhitntsl
nlfhddihhvrksmevnflsyvvltvaalpmlkqsngsivvvsslagkvaypmvaaysas
kfaldgffssirkeysvsrvnvsitlcvlglidtetamkavsgivhmqaapkeecaleii
kggalrqeevyydsslwttllirnpsrkileflystsynmdrfink

    Sequence, based on observed residues (ATOM records): (download) 
    >4hx5A (A:)
eefrpemlqgkkvivtgaskgigremayhlakmgahvvvtarsketlqkvvshclelgaa
sahyiagtmedmtfaeqfvaqagklmggldmlilnhitntslnlfhddihhvrksmevnf
lsyvvltvaalpmlkqsngsivvvsslagkvaypmvaaysaskfaldgffssirkeysvs
rvnvsitlcvlglidtetamkavsgivhmqaapkeecaleiikggalrqeevyydsslwt
tllirnpsrkileflystsyn

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >4hx5B (B:)
mkhqhqhqhqhqhqqplneefrpemlqgkkvivtgaskgigremayhlakmgahvvvtar
sketlqkvvshclelgaasahyiagtmedmtfaeqfvaqagklmggldmlilnhitntsl
nlfhddihhvrksmevnflsyvvltvaalpmlkqsngsivvvsslagkvaypmvaaysas
kfaldgffssirkeysvsrvnvsitlcvlglidtetamkavsgivhmqaapkeecaleii
kggalrqeevyydsslwttllirnpsrkileflystsynmdrfink

    Sequence, based on observed residues (ATOM records): (download) 
    >4hx5B (B:)
qqplneefrpemlqgkkvivtgaskgigremayhlakmgahvvvtarsketlqkvvshcl
elgaasahyiagtmedmtfaeqfvaqagklmggldmlilnhitntslnlfhddihhvrks
mevnflsyvvltvaalpmlkqsngsivvvsslagkvaypmvaaysaskfaldgffssirk
eysvsrvnvsitlcvlglidtetamkavsgivhmqaapkeecaleiikggalrqeevyyd
sslwttllirnpsrkileflysts

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >4hx5C (C:)
mkhqhqhqhqhqhqqplneefrpemlqgkkvivtgaskgigremayhlakmgahvvvtar
sketlqkvvshclelgaasahyiagtmedmtfaeqfvaqagklmggldmlilnhitntsl
nlfhddihhvrksmevnflsyvvltvaalpmlkqsngsivvvsslagkvaypmvaaysas
kfaldgffssirkeysvsrvnvsitlcvlglidtetamkavsgivhmqaapkeecaleii
kggalrqeevyydsslwttllirnpsrkileflystsynmdrfink

    Sequence, based on observed residues (ATOM records): (download) 
    >4hx5C (C:)
qplneefrpemlqgkkvivtgaskgigremayhlakmgahvvvtarsketlqkvvshcle
lgaasahyiagtmedmtfaeqfvaqagklmggldmlilnhitntslnlfhddihhvrksm
evnflsyvvltvaalpmlkqsngsivvvsslagkvaypmvaaysaskfaldgffssirke
ysvsrvnvsitlcvlglidtetamkavsgivhmqaapkeecaleiikggalrqeevyyds
slwttllirnpsrkileflystsy

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >4hx5D (D:)
mkhqhqhqhqhqhqqplneefrpemlqgkkvivtgaskgigremayhlakmgahvvvtar
sketlqkvvshclelgaasahyiagtmedmtfaeqfvaqagklmggldmlilnhitntsl
nlfhddihhvrksmevnflsyvvltvaalpmlkqsngsivvvsslagkvaypmvaaysas
kfaldgffssirkeysvsrvnvsitlcvlglidtetamkavsgivhmqaapkeecaleii
kggalrqeevyydsslwttllirnpsrkileflystsynmdrfink

    Sequence, based on observed residues (ATOM records): (download) 
    >4hx5D (D:)
qqplneefrpemlqgkkvivtgaskgigremayhlakmgahvvvtarsketlqkvvshcl
elgaasahyiagtmedmtfaeqfvaqagklmggldmlilnhitntslnlfhddihhvrks
mevnflsyvvltvaalpmlkqsngsivvvsslagkvaypmvaaysaskfaldgffssirk
eysvsrvnvsitlcvlglidtetamkavsgivhmqaapkeecaleiikggalrqeevyyd
sslwttllirnpsrkilefl