Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T72168 | Target Info | |||
| Target Name | Mineralocorticoid receptor (MR) | ||||
| Synonyms | Nuclear receptor subfamily 3 group C member 2; Mineralocorticoid receptor; MLR; MCR; Inner ear mineralocorticoid receptor; Delta | ||||
| Target Type | Successful Target | ||||
| Gene Name | NR3C2 | ||||
| Biochemical Class | Nuclear hormone receptor | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Progesterone | Ligand Info | |||
| Canonical SMILES | CC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C | ||||
| InChI | 1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1 | ||||
| InChIKey | RJKFOVLPORLFTN-LEKSSAKUSA-N | ||||
| PubChem Compound ID | 5994 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 2AA6 Mineralocorticoid Receptor S810L Mutant with Bound Progesterone | ||||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | Yes | [1] |
| PDB Sequence |
ALVPQLSTIS
731 RALTPSPVMV741 LENIEPEIVY751 AGYDSSKPDT761 AENLLSTLNR771 LAGKQMIQVV 781 KWAKVLPGFK791 NLPLEDQITL801 IQYSWMSLLS811 FALSWRSYKH821 TNSQFLYFAP 831 DLVFNEEKMH841 QSAMYELCQG851 MHQISLQFVR861 LQLTFEEYTI871 MKVLLLLSTI 881 PKDGLKSQAA891 FEEMRTNYIK901 ELRKMVTKCN912 NSGQSWQRFY922 QLTKLLDSMH 932 DLVSDLLEFC942 FYTFRESHAL952 KVEFPAMLVE962 IISDQLPKVE972 SGNAKPLYFH 982
|
|||||
|
|
LEU766
4.022
LEU769
3.575
ASN770
3.323
LEU772
3.959
ALA773
3.614
GLN776
3.226
TRP806
4.191
MET807
3.817
LEU810
3.629
SER811
4.205
LEU814
3.802
|
|||||
| PDB ID: 2AA5 Mineralocorticoid Receptor with Bound Progesterone | ||||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | Yes | [1] |
| PDB Sequence |
ALVPQLSTIS
731 RALTPSPVMV741 LENIEPEIVY751 AGYDSSKPDT761 AENLLSTLNR771 LAGKQMIQVV 781 KWAKVLPGFK791 NLPLEDQITL801 IQYSWMSLSS811 FALSWRSYKH821 TNSQFLYFAP 831 DLVFNEEKMH841 QSAMYELCQG851 MHQISLQFVR861 LQLTFEEYTI871 MKVLLLLSTI 881 PKDGLKSQAA891 FEEMRTNYIK901 ELRKMVTKCS917 WQRFYQLTKL927 LDSMHDLVSD 937 LLEFCFYTFR947 ESHALKVEFP957 AMLVEIISDQ967 LPKVESGNAK977 PLYFH |
|||||
|
|
LEU766
4.096
LEU769
3.526
ASN770
3.297
LEU772
3.976
ALA773
3.642
GLN776
3.128
TRP806
3.976
MET807
3.815
SER810
3.626
SER811
4.210
LEU814
3.933
|
|||||
| PDB ID: 1YA3 Crystal structure of the human mineralocorticoid receptor ligand-binding domain bound to progesterone and harboring the S810L mutation responsible for a severe form of hypertension | ||||||
| Method | X-ray diffraction | Resolution | 2.34 Å | Mutation | Yes | [2] |
| PDB Sequence |
SPVMVLENIE
746 PEIVYAGYDT761 AENLLSTLNR771 LAGKQMIQVV781 KWAKVLPGFK791 NLPLEDQITL 801 IQYSWMCLLS811 FALSWRSYKH821 TNSQFLYFAP831 DLVFNEEKMH841 QSAMYELCQG 851 MHQISLQFVR861 LQLTFEEYTI871 MKVLLLLSTI881 PKDGLKSQAA891 FEEMRTNYIK 901 ELRKMVTSWQ919 RFYQLTKLLD929 SMHDLVSDLL939 EFCFYTFRES949 HALKVEFPAM 959 LVEIISDQLP969 KVESGNAKPL979 YFH
|
|||||
|
|
LEU766
3.673
LEU769
3.609
ASN770
3.337
LEU772
3.801
ALA773
3.716
GLN776
3.163
TRP806
4.491
MET807
3.731
LEU810
3.486
SER811
3.810
LEU814
3.953
|
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | A ligand-mediated hydrogen bond network required for the activation of the mineralocorticoid receptor. J Biol Chem. 2005 Sep 2;280(35):31283-93. | ||||
| REF 2 | Crystal structure of a mutant mineralocorticoid receptor responsible for hypertension. Nat Struct Mol Biol. 2005 Jun;12(6):554-5. | ||||
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