Target Binding Site Detail
Target General Information | Top | ||||
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Target ID | T98337 | Target Info | |||
Target Name | FK506-binding protein 5 (FKBP5) | ||||
Synonyms | Peptidyl-prolyl cis-trans isomerase FKBP5; PPIase FKBP5; HSP90-binding immunophilin; FKBP54; FKBP51; FKBP-51; FKBP-5; FF1 antigen; Androgen-regulated protein 6; AIG6; 54 kDa progesterone receptor-associated immunophilin; 51 kDa FKBP; 51 kDa FK506-binding protein | ||||
Target Type | Literature-reported Target | ||||
Gene Name | FKBP5 | ||||
Biochemical Class | Cis-trans-isomerase | ||||
UniProt ID |
Ligand General Information | Top | ||||
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Ligand Name | Sirolimus | Ligand Info | |||
Canonical SMILES | CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)O)C)C)O)OC)C)C)C)OC | ||||
InChI | 1S/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,31-17+,35-25+/t30-,32-,33-,34-,36-,37+,38+,39+,40-,42+,43+,44-,46-,47+,51-/m1/s1 | ||||
InChIKey | QFJCIRLUMZQUOT-HPLJOQBZSA-N | ||||
PubChem Compound ID | 5284616 |
Drug Binding Sites of Target | Top | |||||
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PDB ID: 4DRI Co-crystal structure of the PPIase domain of FKBP51, Rapamycin and the FRB fragment of mTOR | ||||||
Method | X-ray diffraction | Resolution | 1.45 Å | Mutation | No | [1] |
PDB Sequence |
EQGEDITSKK
29 DRGVLKIVKR39 VGNGEETPMI49 GDKVYVHYKG59 KLSNGKKFDS69 SHDRNEPFVF 79 SLGKGQVIKA89 WDIGVATMKK99 GEICHLLCKP109 EYAYGSAGSL119 PKIPSNATLF 129 FEIELLDFKG139 E
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PDB ID: 4DRH Co-crystal structure of the PPIase domain of FKBP51, Rapamycin and the FRB fragment of mTOR at low pH | ||||||
Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [1] |
PDB Sequence |
NNEESPTATV
18 AEQGEDITSK28 KDRGVLKIVK38 RVGNGEETPM48 IGDKVYVHYK58 GKLSNGKKFD 68 SSHDRNEPFV78 FSLGKGQVIK88 AWDIGVATMK98 KGEICHLLCK108 PEYAYGSAGS 118 LPKIPSNATL128 FFEIELLDFK138 GE
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References | Top | ||||
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REF 1 | Large FK506-binding proteins shape the pharmacology of rapamycin. Mol Cell Biol. 2013 Apr;33(7):1357-67. |
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