PDB entry 5pgv
View 5pgv on RCSB PDB site
Description: crystal structure of 11beta-hsd1 double mutant (l262r, f278e) complexed with 1-(3-hydroxyazetidin-1-yl)-2-[(2s,5r)-2-(4-fluorophenyl)-5-methoxyadamantan-2-yl]ethan-1-one
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: 0.24
(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: d5pgva_ - 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 (4-16)
- engineered mutation (255)
- engineered mutation (271)
Domains in SCOPe 2.07: d5pgvb1, d5pgvb2 - 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 (4-16)
- engineered mutation (255)
- engineered mutation (271)
Domains in SCOPe 2.07: d5pgvd1, d5pgvd2 - 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: d5pgve_ - Heterogens: NAP, 8K7, HOH
PDB Chain Sequences:
- Chain 'A':
Sequence, based on SEQRES records: (download)
>5pgvA (A:)
gshmasmtggqqmgrgsneefrpemlqgkkvivtgaskgigremayhlakmgahvvvtar
sketlqkvvshclelgaasahyiagtmedmtfaeqfvaqagklmggldmlilnhitntsl
nlfhddihhvrksmevnflsyvvltvaalpmlkqsngsivvvsslagkvaypmvaaysas
kfaldgffssirkeysvsrvnvsitlcvlglidtetamkavsgivhmqaapkeecaleii
kggalrqeevyydssrwttllirnpcrkileelystsynmdrfink
Sequence, based on observed residues (ATOM records): (download)
>5pgvA (A:)
efrpemlqgkkvivtgaskgigremayhlakmgahvvvtarsketlqkvvshclelgaas
ahyiagtmedmtfaeqfvaqagklmggldmlilnhitntslnlfhddihhvrksmevnfl
syvvltvaalpmlkqsngsivvvsslagkvaypmvaaysaskfaldgffssirkeysvsr
vnvsitlcvlglidtetamkavsgivhmqaapkeecaleiikggalrqeevyydssrwtt
llirnpcrkileelystsynmd
- Chain 'B':
Sequence, based on SEQRES records: (download)
>5pgvB (B:)
gshmasmtggqqmgrgsneefrpemlqgkkvivtgaskgigremayhlakmgahvvvtar
sketlqkvvshclelgaasahyiagtmedmtfaeqfvaqagklmggldmlilnhitntsl
nlfhddihhvrksmevnflsyvvltvaalpmlkqsngsivvvsslagkvaypmvaaysas
kfaldgffssirkeysvsrvnvsitlcvlglidtetamkavsgivhmqaapkeecaleii
kggalrqeevyydssrwttllirnpcrkileelystsynmdrfink
Sequence, based on observed residues (ATOM records): (download)
>5pgvB (B:)
asmtggqqmgrgsneefrpemlqgkkvivtgaskgigremayhlakmgahvvvtarsket
lqkvvshclelgaasahyiagtmedmtfaeqfvaqagklmggldmlilnhitntslnlfh
ddihhvrksmevnflsyvvltvaalpmlkqsngsivvvsslagkvaypmvaaysaskfal
dgffssirkeysvsrvnvsitlcvlglidtetamkavsgivhmqaapkeecaleiikgga
lrqeevyydssrwttllirnpcrkileelystsynmdrfi
- Chain 'D':
Sequence, based on SEQRES records: (download)
>5pgvD (D:)
gshmasmtggqqmgrgsneefrpemlqgkkvivtgaskgigremayhlakmgahvvvtar
sketlqkvvshclelgaasahyiagtmedmtfaeqfvaqagklmggldmlilnhitntsl
nlfhddihhvrksmevnflsyvvltvaalpmlkqsngsivvvsslagkvaypmvaaysas
kfaldgffssirkeysvsrvnvsitlcvlglidtetamkavsgivhmqaapkeecaleii
kggalrqeevyydssrwttllirnpcrkileelystsynmdrfink
Sequence, based on observed residues (ATOM records): (download)
>5pgvD (D:)
asmtggqqmgrgsneefrpemlqgkkvivtgaskgigremayhlakmgahvvvtarsket
lqkvvshclelgaasahyiagtmedmtfaeqfvaqagklmggldmlilnhitntslnlfh
ddihhvrksmevnflsyvvltvaalpmlkqsngsivvvsslagkvaypmvaaysaskfal
dgffssirkeysvsrvnvsitlcvlglidtetamkavsgivhmqaapkeecaleiikgga
lrqeevyydssrwttllirnpcrkileelystsy
- Chain 'E':
Sequence, based on SEQRES records: (download)
>5pgvE (E:)
gshmasmtggqqmgrgsneefrpemlqgkkvivtgaskgigremayhlakmgahvvvtar
sketlqkvvshclelgaasahyiagtmedmtfaeqfvaqagklmggldmlilnhitntsl
nlfhddihhvrksmevnflsyvvltvaalpmlkqsngsivvvsslagkvaypmvaaysas
kfaldgffssirkeysvsrvnvsitlcvlglidtetamkavsgivhmqaapkeecaleii
kggalrqeevyydssrwttllirnpcrkileelystsynmdrfink
Sequence, based on observed residues (ATOM records): (download)
>5pgvE (E:)
eefrpemlqgkkvivtgaskgigremayhlakmgahvvvtarsketlqkvvshclelgaa
sahyiagtmedmtfaeqfvaqagklmggldmlilnhitntslnlfhddihhvrksmevnf
lsyvvltvaalpmlkqsngsivvvsslagkvaypmvaaysaskfaldgffssirkeysvs
rvnvsitlcvlglidtetamkavsgivhmqaapkeecaleiikggalrqeevyydssrwt
tllirnpcrkileelystsynmd