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, C (A, E)	Peptidyl-prolyl cis-trans isomerase FKBP1A	polymer	110	12111.8	2	UniProt (P62942) Pfam (PF00254)	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, D (B, F)	Serine/threonine-protein kinase mTOR	polymer	95	11447.1	2	UniProt (P42345) Pfam (PF08771)	Homo sapiens (Human)	Mammalian target of rapamycin,mTOR,Mechanistic target of rapamycin
3	E, R (A, E)	RAPAMYCIN IMMUNOSUPPRESSANT DRUG	non-polymer		914.2	2	Chemie (RAP) PubChem (21944094) PubChem (22524702) PubChem (22524747) PubChem (22525359) PubChem (176856347) PubChem (23351774) PubChem (23375411) PubChem (23376986) PubChem (23748515) PubChem (24870962) PubChem (24871327) PubChem (25200053) PubChem (25200063) PubChem (44120108) PubChem (16760052) PubChem (16760631) PubChem (17753749) PubChem (44476572) PubChem (44634693) PubChem (21176130) PubChem (21549991) PubChem (21863017) PubChem (22524575) PubChem (22525016) PubChem (22771180) PubChem (22829016) PubChem (23351773) PubChem (23375412) PubChem (23376988) PubChem (24150662) PubChem (24867259) PubChem (24871317) PubChem (25200284) PubChem (25200075) PubChem (25200308) PubChem (25266201) PubChem (54600319) PubChem (57579211) PubChem (57831856) PubChem (44295234) PubChem (58597069) PubChem (58597081) PubChem (58651220) PubChem (58651224) PubChem (58682959) PubChem (58725682) PubChem (58725688) PubChem (58731856) PubChem (58757256) PubChem (58818830) PubChem (58942911) PubChem (59079213) PubChem (59116632) PubChem (59262957) PubChem (44634703) PubChem (59716030) PubChem (59746150) PubChem (59761584) PubChem (59798735) PubChem (46835353) PubChem (59976377) PubChem (49652385) PubChem (70789198) PubChem (71296106) PubChem (53298413) PubChem (53627520) PubChem (478951) PubChem (73265225) PubChem (73438908) PubChem (145684635) PubChem (57312764) PubChem (57549339) PubChem (57747481) PubChem (57654444) PubChem (73896879) PubChem (57542109) PubChem (57831854) PubChem (58651218) PubChem (58731853) PubChem (58863407) PubChem (58681233) PubChem (58651217) PubChem (58682966) PubChem (58725690) PubChem (59032409) PubChem (59111212) PubChem (59079212) PubChem (59189008) PubChem (59584560) PubChem (59873116) PubChem (59741796) PubChem (59514927) PubChem (59695672) PubChem (59762850) PubChem (59716029) PubChem (59746146) PubChem (59798734) PubChem (59836921) PubChem (59762848) PubChem (59939263) PubChem (59843436) PubChem (60084327) PubChem (59965662) PubChem (59921726) PubChem (59972802) PubChem (59982608) PubChem (60003176) PubChem (60148419) PubChem (60146796) PubChem (86583604) PubChem (60150249) PubChem (88543353) PubChem (88877093) PubChem (88877541) PubChem (88982079) PubChem (143131348) PubChem (176481738) PubChem (89172501) PubChem (89222646) PubChem (89229297) PubChem (89288626) PubChem (176797660) PubChem (176878509) PubChem (177257072) PubChem (177410779) PubChem (5040) PubChem (65448) PubChem (90660428) PubChem (90660646) PubChem (313006) PubChem (71308609) PubChem (71463321) PubChem (73438890) PubChem (73707374) PubChem (73952167) PubChem (87199396) PubChem (87413824) PubChem (88877157) PubChem (88876970) PubChem (88938482) PubChem (88934904) PubChem (89164572) PubChem (89173639) PubChem (89263866) PubChem (89193790) PubChem (89203820) PubChem (89203981) PubChem (89382243) PubChem (89651883) PubChem (89691897) PubChem (91157894) PubChem (90830213) PubChem (90954095) PubChem (91059082) PubChem (91312280) PubChem (91407558) PubChem (5358081) PubChem (5284616) PubChem (98042555) PubChem (99726904) PubChem (99726905) PubChem (99719687) PubChem (99726902) PubChem (99719685) PubChem (101058122) PubChem (5374464) PubChem (5460439) PubChem (5497196) PubChem (5924240) PubChem (118028380) PubChem (6610346) PubChem (6711160) PubChem (6713081) PubChem (123319649) PubChem (123375319) PubChem (123284252) PubChem (123579029) PubChem (123745020) PubChem (123961550) PubChem (124202144) PubChem (124202163) PubChem (9833581) PubChem (9854379) PubChem (124923869) PubChem (125182984) PubChem (9962926) PubChem (126706235) PubChem (6436030) PubChem (129018336) PubChem (10213190) PubChem (129396805) PubChem (131674889) PubChem (131668123) PubChem (132342626) PubChem (6610270) PubChem (133550001) PubChem (99719686) PubChem (99726903) PubChem (118701644) PubChem (118968446) PubChem (134812764) PubChem (11959112) PubChem (9854380) PubChem (136197703) PubChem (137146980) PubChem (137126527) PubChem (9962928) PubChem (137154395) PubChem (137154392) PubChem (137154394) PubChem (137159082) PubChem (137303712) PubChem (137321130) PubChem (123132513) PubChem (123685353) PubChem (137513797) PubChem (123966602) PubChem (124202326) PubChem (140457701) PubChem (140509544) PubChem (140495012) PubChem (141827210) PubChem (11949238) PubChem (13003162) PubChem (146165671) PubChem (149030593) PubChem (149030595) PubChem (154539809) PubChem (155923785) PubChem (154575194) PubChem (124923870) PubChem (124923871) PubChem (124923872) PubChem (157691735) PubChem (158004723) PubChem (158004725) PubChem (158667905) PubChem (158667900) PubChem (159512395) PubChem (160401076) PubChem (160401082) PubChem (160401068) PubChem (160843420) PubChem (160401063) PubChem (160401067) PubChem (160401073) PubChem (160843418) PubChem (160401077) PubChem (160559912) PubChem (161552714) PubChem (162393098) PubChem (162702738) PubChem (162907223) PubChem (162907225) PubChem (162907221) PubChem (163193694) PubChem (163359781) PubChem (163895655) PubChem (163895656) PubChem (163978502) PubChem (166639084) PubChem (167403487) PubChem (168267583) PubChem (168314647) PubChem (168843998) PubChem (168810792) PubChem (169766759) PubChem (170922362) PubChem (170996834) PubChem (171042528) PubChem (171329380) PubChem (171360948) PubChem (171607084) PubChem (171991699) PubChem (129010340) PubChem (173549023) PubChem (173303291) PubChem (173381240) PubChem (173209376) PubChem (173484164) PubChem (173477043) PubChem (173523625) PubChem (173644621) PubChem (173628231) PubChem (173732063) PubChem (173790728) PubChem (174051096) PubChem (174079707) PubChem (174086051) PubChem (175963732) PubChem (129150908) PubChem (134129699) PubChem (134572840) PubChem (134760597) PubChem (137146981) PubChem (137146982) PubChem (137154393) PubChem (137244727) PubChem (137795242) PubChem (138106895) PubChem (138404388) PubChem (140456940) PubChem (140495013) PubChem (140504269) PubChem (149030591) PubChem (149030592) PubChem (149030594) PubChem (153274811) PubChem (153484733) PubChem (154547638) PubChem (157502692) PubChem (157507229) PubChem (160401064) PubChem (160401065) PubChem (160401066) PubChem (160401069) PubChem (160401070) PubChem (160401071) PubChem (160401072) PubChem (160401074) PubChem (160401075) PubChem (160401078) PubChem (160401079) PubChem (160401080) PubChem (160401081) PubChem (161095401) PubChem (161095402) PubChem (161418798) PubChem (162907222) PubChem (162907224) PubChem (163895657) PubChem (166604446) PubChem (168311769) PubChem (169962415) PubChem (171125838) PubChem (171159772) PubChem (171703108) PubChem (171761843) PubChem (172017404) PubChem (172018138) PubChem (172503251) PubChem (173075346) PubChem (173296700) PubChem (173303290) PubChem (173303292) PubChem (173303664) PubChem (173382757) PubChem (173481203) PubChem (173493552) PubChem (173512554) PubChem (173614191) PubChem (173682385) PubChem (175673538) PubChem (175737102) PubChem (176418841)
4	AA, F, G, H, K... (F, A, B, E)	ZINC ION	non-polymer		65.4	14	Chemie (ZN)
5	BA, I, J, P, Q... (F, A, B, E)	CHLORIDE ION	non-polymer		35.5	7	Chemie (CL) PubChem (312)
6	X (F)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL) PubChem (753)
7	CA, DA, EA, FA (A, B, E, F)	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.