3UF8

Crystal structure of a SMT fusion Peptidyl-prolyl cis-trans isomerase with a G95A surface mutation from Burkholderia pseudomallei complexed with FK506

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Ubiquitin-like protein SMT3, Peptidyl-prolyl cis-trans isomerase	polymer	209	23015.9	1	UniProt (Q12306) UniProt (Q3JK38) Pfam (PF00240)	Saccharomyces cerevisiae (Baker's yeast)
2	B (A)	8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN	non-polymer		804.0	1	Chemie (FK5) PubChem (23377000) PubChem (177746942) PubChem (23308325) PubChem (23581796) PubChem (24978521) PubChem (44294761) PubChem (44314852) PubChem (44575549) PubChem (46783859) PubChem (46781577) PubChem (49874294) PubChem (54611630) PubChem (57417278) PubChem (57892354) PubChem (57910335) PubChem (58584114) PubChem (59032416) PubChem (58946030) PubChem (59141120) PubChem (59049316) PubChem (59974193) PubChem (59993548) PubChem (60035606) PubChem (66709866) PubChem (67340654) PubChem (67626881) PubChem (68219140) PubChem (68712665) PubChem (69247758) PubChem (176478128) PubChem (176856280) PubChem (177675132) PubChem (5372) PubChem (57206900) PubChem (64779) PubChem (445643) PubChem (77906388) PubChem (89249909) PubChem (89545901) PubChem (89960652) PubChem (59042420) PubChem (59111253) PubChem (59112447) PubChem (59118415) PubChem (145857191) PubChem (59746606) PubChem (117646237) PubChem (6426916) PubChem (6436007) PubChem (6473866) PubChem (59917266) PubChem (59918741) PubChem (60086106) PubChem (66509027) PubChem (66672804) PubChem (123552884) PubChem (9832283) PubChem (9853905) PubChem (125039862) PubChem (9918805) PubChem (125136698) PubChem (125136697) PubChem (9963169) PubChem (129009965) PubChem (129010422) PubChem (130330191) PubChem (131676819) PubChem (133562888) PubChem (133688365) PubChem (11556866) PubChem (134694629) PubChem (71296869) PubChem (71316759) PubChem (71668407) PubChem (73265325) PubChem (12134936) PubChem (13006299) PubChem (137705868) PubChem (138106951) PubChem (138574020) PubChem (89068341) PubChem (140494820) PubChem (13819070) PubChem (140647114) PubChem (13819074) PubChem (13819069) PubChem (140893615) PubChem (149048732) PubChem (403209) PubChem (439492) PubChem (160433486) PubChem (162711219) PubChem (163027397) PubChem (163027399) PubChem (163027400) PubChem (166023667) PubChem (168312998) PubChem (170277719) PubChem (171042252) PubChem (171360199) PubChem (172042935) PubChem (173882479) PubChem (124511204) PubChem (5353987) PubChem (5472317) PubChem (125039860) PubChem (125039861) PubChem (125136699) PubChem (125136700) PubChem (125182986) PubChem (126687738) PubChem (6536850) PubChem (6610362) PubChem (129606865) PubChem (6912836) PubChem (131668141) PubChem (9940643) PubChem (137546410) PubChem (137546581) PubChem (138574025) PubChem (139032034) PubChem (140652196) PubChem (143265740) PubChem (144640477) PubChem (146323807) PubChem (13819073) PubChem (156417380) PubChem (156528350) PubChem (160433487) PubChem (163027398) PubChem (163027401) PubChem (163027402) PubChem (167413568) PubChem (170997009) PubChem (171122179) PubChem (171137683) PubChem (171156312) PubChem (171322980) PubChem (171329370) PubChem (172634670) PubChem (175667550)
3	C (A)	water	water		18.0	263	Chemie (HOH)

Sequence modifications

A: -85 - 0 (UniProt: Q12306)

PDB	External Database	Details
Met -95	-	expression tag
Gly -94	-	expression tag
His -93	-	expression tag
His -92	-	expression tag
His -91	-	expression tag
His -90	-	expression tag
His -89	-	expression tag
His -88	-	expression tag
Ser -87	-	expression tag
Gly -86	-	expression tag
Ser 1	-	linker

A: 2 - 113 (UniProt: Q3JK38)

PDB	External Database	Details
Ala 95	Gly 95	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	23015.9
Non-Polymers*	Number of molecules	1
	Total formula weight	804.0
All*	Total formula weight	23819.9

*Water molecules are not included.