8V5E

IpaD (122-321) Pi-helix Mutant (delta Q148) Bound to Deoxycholate

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Invasin IpaD	polymer	198	21853.4	2	UniProt (P18013) Pfam (PF06511)	Shigella flexneri
2	C, D (A)	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID	non-polymer		392.6	2	Chemie (DXC) PubChem (2987) PubChem (6742) PubChem (91449) PubChem (160530) PubChem (222528) PubChem (440355) PubChem (637628) PubChem (5283831) PubChem (5283833) PubChem (5283834) PubChem (5283835) PubChem (5283836) PubChem (5316554) PubChem (6546957) PubChem (6708651) PubChem (6713712) PubChem (7002093) PubChem (7067172) PubChem (7067178) PubChem (7091730) PubChem (71164460) PubChem (9953605) PubChem (71171226) PubChem (11761472) PubChem (11875893) PubChem (11875895) PubChem (11877125) PubChem (11889739) PubChem (11889741) PubChem (11889743) PubChem (12358594) PubChem (12598155) PubChem (16398945) PubChem (16757991) PubChem (16759977) PubChem (18346235) PubChem (18528829) PubChem (20106101) PubChem (20714831) PubChem (71183244) PubChem (23643772) PubChem (24106003) PubChem (25749121) PubChem (25749125) PubChem (40469677) PubChem (40469679) PubChem (44372437) PubChem (176479387) PubChem (176489046) PubChem (44725023) PubChem (45358122) PubChem (1750955) PubChem (1750952) PubChem (145538113) PubChem (1769282) PubChem (1769279) PubChem (1769277) PubChem (49791913) PubChem (44724091) PubChem (45050703) PubChem (51413969) PubChem (53393577) PubChem (53477694) PubChem (56846007) PubChem (57937275) PubChem (58069304) PubChem (59373875) PubChem (60081048) PubChem (67122253) PubChem (2817554) PubChem (51411346) PubChem (51669127) PubChem (89517208) PubChem (89595858) PubChem (3246028) PubChem (90661466) PubChem (52947316) PubChem (53298648) PubChem (5283832) PubChem (99565238) PubChem (118725000) PubChem (7000965) PubChem (7002091) PubChem (7200738) PubChem (124897171) PubChem (124917110) PubChem (125034662) PubChem (9886838) PubChem (126497949) PubChem (126577443) PubChem (131700475) PubChem (134555898) PubChem (12358589) PubChem (140609403) PubChem (141854532) PubChem (59032048) PubChem (155392252) PubChem (162937386) PubChem (162937385) PubChem (59373866) PubChem (59603119) PubChem (175674103) PubChem (175889631) PubChem (59877675) PubChem (59963668) PubChem (59997753) PubChem (60103596) PubChem (67122254) PubChem (68027121) PubChem (68027124) PubChem (68027246) PubChem (71047569) PubChem (71315440) PubChem (86310104) PubChem (87298938) PubChem (91277849) PubChem (97032051) PubChem (99565239) PubChem (100940592) PubChem (102513999) PubChem (117767697) PubChem (118085203) PubChem (118227551) PubChem (124190288) PubChem (124305301) PubChem (124351304) PubChem (124352383) PubChem (124352508) PubChem (124510867) PubChem (124510868) PubChem (124511068) PubChem (124762205) PubChem (124897175) PubChem (124907310) PubChem (124917111) PubChem (124917112) PubChem (125034663) PubChem (125034664) PubChem (125180673) PubChem (125180674) PubChem (125180675) PubChem (126672052) PubChem (126672053) PubChem (129213992) PubChem (129253082) PubChem (130219689) PubChem (133126817) PubChem (133567529) PubChem (133612068) PubChem (134452639) PubChem (134555900) PubChem (139291938) PubChem (144316921) PubChem (144706089) PubChem (145266284) PubChem (145714627) PubChem (146158532) PubChem (148065335) PubChem (155897264) PubChem (162523132) PubChem (162937382) PubChem (162937383) PubChem (162937384) PubChem (162937387) PubChem (162937388) PubChem (162937389) PubChem (166047560) PubChem (166847890) PubChem (170838259)
3	E (B)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL) PubChem (753)
4	F, G (A, B)	water	water		18.0	91	Chemie (HOH)

Sequence modifications

A, B: 123 - 321 (UniProt: P18013)

PDB	External Database	Details
-	Gln 148	deletion

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	43706.8
Non-Polymers*	Number of molecules	3
	Total formula weight	877.2
All*	Total formula weight	44584.0

*Water molecules are not included.