6M4U

Crystal structure of FKBP-FRB T2098L mutant in complex with rapamycin

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, E	Peptidyl-prolyl cis-trans isomerase FKBP1A	polymer	110	12111.8	2	UniProt (P62942) Pfam (PF00254) In PDB	Homo sapiens (Human)	PPIase FKBP1A,12 kDa FK506-binding protein,FKBP-12,Calstabin-1,FK506-binding protein 1A,FKBP-1A,Immunophilin FKBP12,Rotamase
2	B, F	Serine/threonine-protein kinase mTOR	polymer	95	11447.1	2	UniProt (P42345) Pfam (PF08771) In PDB	Homo sapiens (Human)	Mammalian target of rapamycin,mTOR,Mechanistic target of rapamycin
3	A, E	RAPAMYCIN IMMUNOSUPPRESSANT DRUG	non-polymer		914.2	2	Chemie (RAP)
4	F, A, B, E	ZINC ION	non-polymer		65.4	14	Chemie (ZN)
5	F, A, B, E	CHLORIDE ION	non-polymer		35.5	7	Chemie (CL)
6	F	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
7		water	water		18.0	308	Chemie (HOH)

Sequence modifications

A, E: 1 - 108 (UniProt: P62942)

PDB	External Database	Details
Gly -1	-	expression tag
Ser 0	-	expression tag

B, F: 2021 - 2113 (UniProt: P42345)

PDB	External Database	Details
Gly 2019	-	expression tag
Ser 2020	-	expression tag
Leu 2098	Thr 2098	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	47117.9
Non-Polymers*	Number of molecules	24
	Total formula weight	3084.3
All*	Total formula weight	50202.2

*Water molecules are not included.