4DRH

Co-crystal structure of the PPIase domain of FKBP51, Rapamycin and the FRB fragment of mTOR at low pH

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, D)	Peptidyl-prolyl cis-trans isomerase FKBP5	polymer	144	15693.8	2	UniProt (Q13451) Pfam (PF00254)	Homo sapiens (human)	PPIase FKBP5, 51 kDa FK506-binding protein, 51 kDa FKBP, FKBP-51, 54 kDa progesterone receptor-associated immunophilin, Androgen-regulated protein 6, FF1 antigen, FK506-binding protein 5, FKBP-5, FKBP54, p54, HSP90-binding immunophilin, Rotamase
2	B, D (B, E)	Serine/threonine-protein kinase mTOR	polymer	98	11747.4	2	UniProt (P42345) Pfam (PF08771)	Homo sapiens (human)	FK506-binding protein 12-rapamycin complex-associated protein 1, FKBP12-rapamycin complex-associated protein, Mammalian target of rapamycin, mTOR, Mechanistic target of rapamycin, Rapamycin and FKBP12 target 1, Rapamycin target protein 1
3	E, Q (A, D)	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 (16760052) PubChem (16760631) PubChem (17753749) PubChem (24870962) PubChem (24871327) PubChem (25200053) PubChem (25200063) PubChem (21176130) PubChem (21549991) PubChem (21863017) PubChem (44120108) PubChem (22524575) PubChem (22525016) PubChem (22771180) PubChem (22829016) PubChem (23351773) PubChem (23375412) PubChem (23376988) PubChem (44476572) PubChem (44634693) PubChem (24150662) PubChem (24867259) PubChem (24871317) PubChem (25200284) PubChem (25200075) PubChem (25200308) PubChem (25266201) PubChem (478951) PubChem (44295234) PubChem (44634703) PubChem (46835353) PubChem (54600319) PubChem (49652385) PubChem (57579211) PubChem (57831856) 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 (53298413) PubChem (53627520) PubChem (59716030) PubChem (59746150) PubChem (59761584) PubChem (59798735) PubChem (59976377) PubChem (145684635) PubChem (57312764) PubChem (57549339) PubChem (57747481) PubChem (57654444) 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 (60150249) PubChem (70789198) PubChem (71296106) PubChem (5358081) PubChem (143131348) PubChem (176481738) PubChem (176797660) PubChem (176878509) PubChem (177257072) PubChem (177410779) PubChem (73265225) PubChem (73438908) PubChem (73896879) PubChem (6436030) PubChem (5040) PubChem (86583604) PubChem (88543353) PubChem (88877093) PubChem (88877541) PubChem (88982079) PubChem (65448) PubChem (89172501) PubChem (89222646) PubChem (89229297) PubChem (89288626) PubChem (6610270) PubChem (313006) PubChem (71308609) PubChem (90660428) PubChem (90660646) PubChem (71463321) PubChem (9854380) PubChem (91157894) PubChem (73438890) PubChem (73707374) PubChem (73952167) PubChem (9962928) 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 (11949238) PubChem (90830213) PubChem (90954095) PubChem (91059082) PubChem (13003162) PubChem (91312280) PubChem (91407558) PubChem (5284616) PubChem (99719686) PubChem (99726903) 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 (129018336) PubChem (10213190) PubChem (129396805) PubChem (131674889) PubChem (131668123) PubChem (132342626) PubChem (133550001) PubChem (118701644) PubChem (118968446) PubChem (134812764) PubChem (11959112) PubChem (136197703) PubChem (137146980) PubChem (137126527) PubChem (137154395) PubChem (137154392) PubChem (137154394) PubChem (137159082) PubChem (123132513) PubChem (123685353) PubChem (137303712) PubChem (137321130) PubChem (123966602) PubChem (124202326) PubChem (137513797) PubChem (124923870) PubChem (124923871) PubChem (124923872) PubChem (129010340) PubChem (129150908) PubChem (140457701) PubChem (140509544) PubChem (140495012) PubChem (141827210) PubChem (146165671) PubChem (134129699) PubChem (134572840) PubChem (149030593) PubChem (149030595) PubChem (154539809) PubChem (134760597) PubChem (155923785) PubChem (154575194) 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 (137146981) PubChem (137146982) PubChem (137154393) PubChem (137244727) PubChem (163193694) PubChem (163359781) PubChem (163895655) PubChem (163895656) PubChem (163978502) PubChem (137795242) PubChem (138106895) PubChem (138404388) PubChem (166639084) PubChem (167403487) PubChem (140456940) PubChem (140495013) PubChem (140504269) PubChem (168267583) PubChem (168314647) PubChem (168843998) PubChem (168810792) PubChem (149030591) PubChem (149030592) PubChem (149030594) PubChem (153274811) PubChem (153484733) PubChem (154547638) PubChem (169766759) PubChem (170922362) PubChem (170996834) PubChem (171042528) PubChem (171329380) PubChem (171360948) PubChem (171607084) PubChem (171991699) PubChem (173549023) PubChem (173303291) PubChem (173381240) PubChem (173209376) 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 (173484164) PubChem (173477043) PubChem (173523625) PubChem (173644621) PubChem (173628231) PubChem (173732063) PubChem (173790728) PubChem (174051096) PubChem (174079707) PubChem (174086051) PubChem (175963732) 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, I... (E, A, B, D)	SULFATE ION	non-polymer		96.1	21	Chemie (SO4)
5	BA, CA, DA, EA (A, B, D, E)	water	water		18.0	89	Chemie (HOH)

Sequence modifications

A, D: 1 - 140 (UniProt: Q13451)

PDB	External Database	Details
Gly -3	-	expression tag
Ala -2	-	expression tag
Met -1	-	expression tag
Gly 0	-	expression tag

B, E: 2025 - 2114 (UniProt: P42345)

PDB	External Database	Details
Gly 2017	-	expression tag
Ala 2018	-	expression tag
Met 2019	-	expression tag
Asp 2020	-	expression tag
Pro 2021	-	expression tag
Glu 2022	-	expression tag
Phe 2023	-	expression tag
Met 2024	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	54882.4
Non-Polymers*	Number of molecules	23
	Total formula weight	3845.7
All*	Total formula weight	58728.1

*Water molecules are not included.