PDB entry 4ijv
View 4ijv on RCSB PDB site
Description: Crystal structure of 11b-HSD1 double mutant (L262R, F278E) in complex with 3-[1-(4-chlorophenyl)cyclopropyl]-8-(2-fluorophenoxy)[1,2,4]triazolo[4,3-a]pyridine
Class: oxidoreductase/oxidoreductase inhibitor
Keywords: 11b-HSD1, SDR, dehydrogenase, hydroxysteroid, inhibitor, OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex
Deposited on
2012-12-23, released
2014-06-11
The last revision prior to the SCOPe 2.07 freeze date was dated
2014-08-06, with a file datestamp of
2014-08-01.
Experiment type: XRAY
Resolution: 2.35 Å
R-factor: 0.189
AEROSPACI score: 0.3
(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 (255)
- engineered mutation (271)
Domains in SCOPe 2.07: d4ijva_ - 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 (4-End)
- expression tag (3)
- expression tag (5-16)
- engineered mutation (255)
- engineered mutation (271)
Domains in SCOPe 2.07: d4ijvb1, d4ijvb2 - 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 (4-End)
- expression tag (3)
- expression tag (5-16)
- engineered mutation (255)
- engineered mutation (271)
Domains in SCOPe 2.07: d4ijvd1, d4ijvd2 - Chain 'E':
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 (255)
- engineered mutation (271)
Domains in SCOPe 2.07: d4ijve_ - Heterogens: NAP, 1EN, HOH
PDB Chain Sequences:
- Chain 'A':
Sequence, based on SEQRES records: (download)
>4ijvA (A:)
gshmasmtggqqmgrgsneefrpemlqgkkvivtgaskgigremayhlakmgahvvvtar
sketlqkvvshclelgaasahyiagtmedmtfaeqfvaqagklmggldmlilnhitntsl
nlfhddihhvrksmevnflsyvvltvaalpmlkqsngsivvvsslagkvaypmvaaysas
kfaldgffssirkeysvsrvnvsitlcvlglidtetamkavsgivhmqaapkeecaleii
kggalrqeevyydssrwttllirnpcrkileelystsynmdrfink
Sequence, based on observed residues (ATOM records): (download)
>4ijvA (A:)
efrpemlqgkkvivtgaskgigremayhlakmgahvvvtarsketlqkvvshclelgaas
ahyiagtmedmtfaeqfvaqagklmggldmlilnhitntslnlfhddihhvrksmevnfl
syvvltvaalpmlkqsngsivvvsslagkvaypmvaaysaskfaldgffssirkeysvsr
vnvsitlcvlglidtetamkavsgivhmqaapkeecaleiikggalrqeevyydssrwtt
llirnpcrkileelystsynmdrfin
- Chain 'B':
Sequence, based on SEQRES records: (download)
>4ijvB (B:)
gshmasmtggqqmgrgsneefrpemlqgkkvivtgaskgigremayhlakmgahvvvtar
sketlqkvvshclelgaasahyiagtmedmtfaeqfvaqagklmggldmlilnhitntsl
nlfhddihhvrksmevnflsyvvltvaalpmlkqsngsivvvsslagkvaypmvaaysas
kfaldgffssirkeysvsrvnvsitlcvlglidtetamkavsgivhmqaapkeecaleii
kggalrqeevyydssrwttllirnpcrkileelystsynmdrfink
Sequence, based on observed residues (ATOM records): (download)
>4ijvB (B:)
masmtggqqmgrgsneefrpemlqgkkvivtgaskgigremayhlakmgahvvvtarske
tlqkvvshclelgaasahyiagtmedmtfaeqfvaqagklmggldmlilnhitntslnlf
hddihhvrksmevnflsyvvltvaalpmlkqsngsivvvsslagkvaypmvaaysaskfa
ldgffssirkeysvsrvnvsitlcvlglidtetamkavsgivhmqaapkeecaleiikgg
alrqeevyydssrwttllirnpcrkileelystsynmdrfi
- Chain 'D':
Sequence, based on SEQRES records: (download)
>4ijvD (D:)
gshmasmtggqqmgrgsneefrpemlqgkkvivtgaskgigremayhlakmgahvvvtar
sketlqkvvshclelgaasahyiagtmedmtfaeqfvaqagklmggldmlilnhitntsl
nlfhddihhvrksmevnflsyvvltvaalpmlkqsngsivvvsslagkvaypmvaaysas
kfaldgffssirkeysvsrvnvsitlcvlglidtetamkavsgivhmqaapkeecaleii
kggalrqeevyydssrwttllirnpcrkileelystsynmdrfink
Sequence, based on observed residues (ATOM records): (download)
>4ijvD (D:)
masmtggqqmgrgsneefrpemlqgkkvivtgaskgigremayhlakmgahvvvtarske
tlqkvvshclelgaasahyiagtmedmtfaeqfvaqagklmggldmlilnhitntslnlf
hddihhvrksmevnflsyvvltvaalpmlkqsngsivvvsslagkvaypmvaaysaskfa
ldgffssirkeysvsrvnvsitlcvlglidtetamkavsgivhmqaapkeecaleiikgg
alrqeevyydssrwttllirnpcrkileelystsy
- Chain 'E':
Sequence, based on SEQRES records: (download)
>4ijvE (E:)
gshmasmtggqqmgrgsneefrpemlqgkkvivtgaskgigremayhlakmgahvvvtar
sketlqkvvshclelgaasahyiagtmedmtfaeqfvaqagklmggldmlilnhitntsl
nlfhddihhvrksmevnflsyvvltvaalpmlkqsngsivvvsslagkvaypmvaaysas
kfaldgffssirkeysvsrvnvsitlcvlglidtetamkavsgivhmqaapkeecaleii
kggalrqeevyydssrwttllirnpcrkileelystsynmdrfink
Sequence, based on observed residues (ATOM records): (download)
>4ijvE (E:)
efrpemlqgkkvivtgaskgigremayhlakmgahvvvtarsketlqkvvshclelgaas
ahyiagtmedmtfaeqfvaqagklmggldmlilnhitntslnlfhddihhvrksmevnfl
syvvltvaalpmlkqsngsivvvsslagkvaypmvaaysaskfaldgffssirkeysvsr
vnvsitlcvlglidtetamkavsgivhmqaapkeecaleiikggalrqeevyydssrwtt
llirnpcrkileelystsynmdrf