PDB entry 3ch6

View 3ch6 on RCSB PDB site
Description: Crystal Structure of 11beta-HSD1 Double Mutant (L262R, F278E) Complexed with (3,3-dimethylpiperidin-1-yl)(6-(3-fluoro-4-methylphenyl)pyridin-2-yl)methanone
Class: oxidoreductase
Keywords: 11B-HSD1, sdr, dehydrogenase, hydroxysteroid, inhibitor, OXIDOREDUCTASE
Deposited on 2008-03-07, released 2008-06-10
The last revision prior to the SCOPe 2.01 freeze date was dated 2009-02-24, with a file datestamp of 2009-02-20.
Experiment type: XRAY
Resolution: 2.35 Å
R-factor: 0.188
AEROSPACI score: 0.35 (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
      • engineered (255)
      • engineered (271)
    Domains in SCOPe 2.01: d3ch6a_
  • 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 (17-End)
      • expression tag (3-16)
      • engineered (255)
      • engineered (271)
    Domains in SCOPe 2.01: d3ch6b_
  • 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 (17-End)
      • expression tag (5-16)
      • engineered (255)
      • engineered (271)
    Domains in SCOPe 2.01: d3ch6d_
  • Chain 'E':
    Compound: Corticosteroid 11-beta-dehydrogenase isozyme 1
    Species: HOMO SAPIENS
    Gene: HSD11B1, HSD11, HSD11L
    Database cross-references and differences (RAF-indexed):
    • Uniprot P28845
      • engineered (255)
      • engineered (271)
    Domains in SCOPe 2.01: d3ch6e_
  • Heterogens: NAP, 311, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >3ch6A (A:)
gshmasmtggqqmgrgsneefrpemlqgkkvivtgaskgigremayhlakmgahvvvtar
sketlqkvvshclelgaasahyiagtmedmtfaeqfvaqagklmggldmlilnhitntsl
nlfhddihhvrksmevnflsyvvltvaalpmlkqsngsivvvsslagkvaypmvaaysas
kfaldgffssirkeysvsrvnvsitlcvlglidtetamkavsgivhmqaapkeecaleii
kggalrqeevyydssrwttllirnpcrkileelystsynmdrfink

    Sequence, based on observed residues (ATOM records): (download) 
    >3ch6A (A:)
efrpemlqgkkvivtgaskgigremayhlakmgahvvvtarsketlqkvvshclelgaas
ahyiagtmedmtfaeqfvaqagklmggldmlilnhitntslnlfhddihhvrksmevnfl
syvvltvaalpmlkqsngsivvvsslagkvaypmvaaysaskfaldgffssirkeysvsr
vnvsitlcvlglidtetamkavsgivhmqaapkeecaleiikggalrqeevyydssrwtt
llirnpcrkileelystsynmdrf

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >3ch6B (B:)
gshmasmtggqqmgrgsneefrpemlqgkkvivtgaskgigremayhlakmgahvvvtar
sketlqkvvshclelgaasahyiagtmedmtfaeqfvaqagklmggldmlilnhitntsl
nlfhddihhvrksmevnflsyvvltvaalpmlkqsngsivvvsslagkvaypmvaaysas
kfaldgffssirkeysvsrvnvsitlcvlglidtetamkavsgivhmqaapkeecaleii
kggalrqeevyydssrwttllirnpcrkileelystsynmdrfink

    Sequence, based on observed residues (ATOM records): (download) 
    >3ch6B (B:)
masmtggqqmgrgsneefrpemlqgkkvivtgaskgigremayhlakmgahvvvtarske
tlqkvvshclelgaasahyiagtmedmtfaeqfvaqagklmggldmlilnhitntslnlf
hddihhvrksmevnflsyvvltvaalpmlkqsngsivvvsslagkvaypmvaaysaskfa
ldgffssirkeysvsrvnvsitlcvlglidtetamkavsgivhmqaapkeecaleiikgg
alrqeevyydssrwttllirnpcrkileelystsynmdr

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >3ch6D (D:)
gshmasmtggqqmgrgsneefrpemlqgkkvivtgaskgigremayhlakmgahvvvtar
sketlqkvvshclelgaasahyiagtmedmtfaeqfvaqagklmggldmlilnhitntsl
nlfhddihhvrksmevnflsyvvltvaalpmlkqsngsivvvsslagkvaypmvaaysas
kfaldgffssirkeysvsrvnvsitlcvlglidtetamkavsgivhmqaapkeecaleii
kggalrqeevyydssrwttllirnpcrkileelystsynmdrfink

    Sequence, based on observed residues (ATOM records): (download) 
    >3ch6D (D:)
smtggqqmgrgsneefrpemlqgkkvivtgaskgigremayhlakmgahvvvtarsketl
qkvvshclelgaasahyiagtmedmtfaeqfvaqagklmggldmlilnhitntslnlfhd
dihhvrksmevnflsyvvltvaalpmlkqsngsivvvsslagkvaypmvaaysaskfald
gffssirkeysvsrvnvsitlcvlglidtetamkavsgivhmqaapkeecaleiikggal
rqeevyydssrwttllirnpcrkileelystsy

  • Chain 'E':
    Sequence, based on SEQRES records: (download) 
    >3ch6E (E:)
gshmasmtggqqmgrgsneefrpemlqgkkvivtgaskgigremayhlakmgahvvvtar
sketlqkvvshclelgaasahyiagtmedmtfaeqfvaqagklmggldmlilnhitntsl
nlfhddihhvrksmevnflsyvvltvaalpmlkqsngsivvvsslagkvaypmvaaysas
kfaldgffssirkeysvsrvnvsitlcvlglidtetamkavsgivhmqaapkeecaleii
kggalrqeevyydssrwttllirnpcrkileelystsynmdrfink

    Sequence, based on observed residues (ATOM records): (download) 
    >3ch6E (E:)
eefrpemlqgkkvivtgaskgigremayhlakmgahvvvtarsketlqkvvshclelgaa
sahyiagtmedmtfaeqfvaqagklmggldmlilnhitntslnlfhddihhvrksmevnf
lsyvvltvaalpmlkqsngsivvvsslagkvaypmvaaysaskfaldgffssirkeysvs
rvnvsitlcvlglidtetamkavsgivhmqaapkeecaleiikggalrqeevyydssrwt
tllirnpcrkileelystsynmd