PDB entry 5pgu
View 5pgu on RCSB PDB site
Description: CRYSTAL STRUCTURE OF 11BETA-HSD1 DOUBLE MUTANT (L262R, F278E) COMPLEXED WITH 2-[2-(4-fluorophenyl)-2-adamantyl]-1-(3-methoxyazetidin-1-yl)ethanone
Class: oxidoreductase/oxidoreductase inhibitor
Keywords: 11B-HSD1, SDR, DEHYDROGENASE, HYDROXYSTEROID, INHIBITOR, OXIDOREDUCTASE-OXIDOREDUCTASE INHIBI complex, OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex
Deposited on
2017-02-06, released
2017-11-01
The last revision prior to the SCOPe 2.07 freeze date was dated
2017-11-01, with a file datestamp of
2017-10-27.
Experiment type: XRAY
Resolution: 2.35 Å
R-factor: N/A
AEROSPACI score: 0.23
(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, SDR26C1
Database cross-references and differences (RAF-indexed):
- Uniprot P28845
- engineered mutation (255)
- engineered mutation (271)
Domains in SCOPe 2.07: d5pgua_ - Chain 'B':
Compound: Corticosteroid 11-beta-dehydrogenase isozyme 1
Species: Homo sapiens [TaxId:9606]
Gene: HSD11B1, HSD11, HSD11L, SDR26C1
Database cross-references and differences (RAF-indexed):
- Uniprot P28845 (17-End)
- expression tag (5-16)
- engineered mutation (255)
- engineered mutation (271)
Domains in SCOPe 2.07: d5pgub1, d5pgub2 - Chain 'D':
Compound: Corticosteroid 11-beta-dehydrogenase isozyme 1
Species: Homo sapiens [TaxId:9606]
Gene: HSD11B1, HSD11, HSD11L, SDR26C1
Database cross-references and differences (RAF-indexed):
- Uniprot P28845 (17-End)
- expression tag (11-16)
- engineered mutation (255)
- engineered mutation (271)
Domains in SCOPe 2.07: d5pgud1, d5pgud2 - Chain 'E':
Compound: Corticosteroid 11-beta-dehydrogenase isozyme 1
Species: Homo sapiens [TaxId:9606]
Gene: HSD11B1, HSD11, HSD11L, SDR26C1
Database cross-references and differences (RAF-indexed):
- Uniprot P28845
- engineered mutation (255)
- engineered mutation (271)
Domains in SCOPe 2.07: d5pgue_ - Heterogens: NAP, 8K4, HOH
PDB Chain Sequences:
- Chain 'A':
Sequence, based on SEQRES records: (download)
>5pguA (A:)
gshmasmtggqqmgrgsneefrpemlqgkkvivtgaskgigremayhlakmgahvvvtar
sketlqkvvshclelgaasahyiagtmedmtfaeqfvaqagklmggldmlilnhitntsl
nlfhddihhvrksmevnflsyvvltvaalpmlkqsngsivvvsslagkvaypmvaaysas
kfaldgffssirkeysvsrvnvsitlcvlglidtetamkavsgivhmqaapkeecaleii
kggalrqeevyydssrwttllirnpcrkileelystsynmdrfink
Sequence, based on observed residues (ATOM records): (download)
>5pguA (A:)
efrpemlqgkkvivtgaskgigremayhlakmgahvvvtarsketlqkvvshclelgaas
ahyiagtmedmtfaeqfvaqagklmggldmlilnhitntslnlfhddihhvrksmevnfl
syvvltvaalpmlkqsngsivvvsslagkvaypmvaaysaskfaldgffssirkeysvsr
vnvsitlcvlglidtetamkavsgivhmqaapkeecaleiikggalrqeevyydssrwtt
llirnpcrkileelystsynmd
- Chain 'B':
Sequence, based on SEQRES records: (download)
>5pguB (B:)
gshmasmtggqqmgrgsneefrpemlqgkkvivtgaskgigremayhlakmgahvvvtar
sketlqkvvshclelgaasahyiagtmedmtfaeqfvaqagklmggldmlilnhitntsl
nlfhddihhvrksmevnflsyvvltvaalpmlkqsngsivvvsslagkvaypmvaaysas
kfaldgffssirkeysvsrvnvsitlcvlglidtetamkavsgivhmqaapkeecaleii
kggalrqeevyydssrwttllirnpcrkileelystsynmdrfink
Sequence, based on observed residues (ATOM records): (download)
>5pguB (B:)
smtggqqmgrgsneefrpemlqgkkvivtgaskgigremayhlakmgahvvvtarsketl
qkvvshclelgaasahyiagtmedmtfaeqfvaqagklmggldmlilnhitntslnlfhd
dihhvrksmevnflsyvvltvaalpmlkqsngsivvvsslagkvaypmvaaysaskfald
gffssirkeysvsrvnvsitlcvlglidtetamkavsgivhmqaapkeecaleiikggal
rqeevyydssrwttllirnpcrkileelystsy
- Chain 'D':
Sequence, based on SEQRES records: (download)
>5pguD (D:)
gshmasmtggqqmgrgsneefrpemlqgkkvivtgaskgigremayhlakmgahvvvtar
sketlqkvvshclelgaasahyiagtmedmtfaeqfvaqagklmggldmlilnhitntsl
nlfhddihhvrksmevnflsyvvltvaalpmlkqsngsivvvsslagkvaypmvaaysas
kfaldgffssirkeysvsrvnvsitlcvlglidtetamkavsgivhmqaapkeecaleii
kggalrqeevyydssrwttllirnpcrkileelystsynmdrfink
Sequence, based on observed residues (ATOM records): (download)
>5pguD (D:)
qmgrgsneefrpemlqgkkvivtgaskgigremayhlakmgahvvvtarsketlqkvvsh
clelgaasahyiagtmedmtfaeqfvaqagklmggldmlilnhitntslnlfhddihhvr
ksmevnflsyvvltvaalpmlkqsngsivvvsslagkvaypmvaaysaskfaldgffssi
rkeysvsrvnvsitlcvlglidtetamkavsgivhmqaapkeecaleiikggalrqeevy
ydssrwttllirnpcrkileelysts
- Chain 'E':
Sequence, based on SEQRES records: (download)
>5pguE (E:)
gshmasmtggqqmgrgsneefrpemlqgkkvivtgaskgigremayhlakmgahvvvtar
sketlqkvvshclelgaasahyiagtmedmtfaeqfvaqagklmggldmlilnhitntsl
nlfhddihhvrksmevnflsyvvltvaalpmlkqsngsivvvsslagkvaypmvaaysas
kfaldgffssirkeysvsrvnvsitlcvlglidtetamkavsgivhmqaapkeecaleii
kggalrqeevyydssrwttllirnpcrkileelystsynmdrfink
Sequence, based on observed residues (ATOM records): (download)
>5pguE (E:)
eefrpemlqgkkvivtgaskgigremayhlakmgahvvvtarsketlqkvvshclelgaa
sahyiagtmedmtfaeqfvaqagklmggldmlilnhitntslnlfhddihhvrksmevnf
lsyvvltvaalpmlkqsngsivvvsslagkvaypmvaaysaskfaldgffssirkeysvs
rvnvsitlcvlglidtetamkavsgivhmqaapkeecaleiikggalrqeevyydssrwt
tllirnpcrkileelystsynmd