6Q2T
Human sterol 14a-demethylase (CYP51) in complex with the functionally irreversible inhibitor (R)-N-(1-(3-chloro-4'-fluoro-[1,1'-biphenyl]-4-yl)-2-(1H-imidazol-1-yl)ethyl)-4-(5-(3-fluoro-5-(5-fluoropyrimidin-4-yl)phenyl)-1,3,4-oxadiazol-2-yl)benzamide
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) | Lanosterol 14-alpha demethylase | polymer | 446 | 51052.5 | 2 | UniProt (Q16850) Pfam (PF00067) | Homo sapiens (Human) | LDM, CYPLI, Cytochrome P450 51A1, Cytochrome P450-14DM, Cytochrome P45014DM, Cytochrome P450LI, Sterol 14-alpha demethylase |
| 2 | C, N (A, B) | PROTOPORPHYRIN IX CONTAINING FE | non-polymer | 616.5 | 2 | Chemie (HEM) | |||
| 3 | D, M, O (A, B) | N-[(1R)-1-(3-chloro-4'-fluoro[1,1'-biphenyl]-4-yl)-2-(1H-imidazol-1-yl)ethyl]-4-{5-[3-fluoro-5-(5-fluoropyrimidin-4-yl)phenyl]-1,3,4-oxadiazol-2-yl}benzamide | non-polymer | 678.1 | 3 | Chemie (PJM) PubChem (139592939) PubChem (168314409) | |||
| 4 | E, F, G, H, I... (A) | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID | non-polymer | 392.6 | 8 | Chemie (DXC) PubChem (16398945) PubChem (16757991) PubChem (16759977) PubChem (18346235) PubChem (18528829) PubChem (20106101) PubChem (20714831) PubChem (2987) PubChem (176479387) PubChem (176489046) PubChem (71183244) PubChem (23643772) PubChem (6742) PubChem (24106003) PubChem (25749121) PubChem (25749125) PubChem (40469677) PubChem (40469679) PubChem (44372437) PubChem (44725023) PubChem (91449) PubChem (45358122) PubChem (1750955) PubChem (1750952) PubChem (145538113) PubChem (49791913) PubChem (1769282) PubChem (1769279) PubChem (1769277) PubChem (51411346) PubChem (51669127) PubChem (52947316) PubChem (53298648) PubChem (160530) PubChem (222528) PubChem (59032048) PubChem (44724091) PubChem (45050703) PubChem (59373866) PubChem (59603119) PubChem (59877675) PubChem (59963668) PubChem (59997753) PubChem (60103596) PubChem (440355) PubChem (67122254) PubChem (68027121) PubChem (68027124) PubChem (68027246) PubChem (71047569) PubChem (71315440) PubChem (51413969) PubChem (53393577) PubChem (53477694) PubChem (637628) PubChem (56846007) PubChem (57937275) PubChem (58069304) PubChem (59373875) PubChem (60081048) PubChem (86310104) PubChem (67122253) PubChem (87298938) PubChem (2817554) PubChem (5283831) PubChem (5283833) PubChem (5283834) PubChem (5283835) PubChem (5283836) PubChem (89517208) PubChem (89595858) PubChem (91277849) PubChem (3246028) PubChem (5316554) PubChem (90661466) 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 (97032051) PubChem (6546957) PubChem (6708651) PubChem (6713712) PubChem (99565239) PubChem (100940592) PubChem (7002093) PubChem (102513999) PubChem (134555898) PubChem (117767697) PubChem (118085203) PubChem (118227551) PubChem (7067172) PubChem (7067178) PubChem (7091730) PubChem (71164460) PubChem (9953605) PubChem (12358589) PubChem (71171226) PubChem (124190288) PubChem (140609403) PubChem (124305301) PubChem (124351304) PubChem (124352383) PubChem (124352508) PubChem (124510867) PubChem (124510868) PubChem (124511068) PubChem (141854532) PubChem (11761472) PubChem (11875893) PubChem (11875895) PubChem (11877125) PubChem (11889739) PubChem (11889741) PubChem (11889743) PubChem (124762205) PubChem (12358594) PubChem (12598155) PubChem (124897175) PubChem (124907310) PubChem (124917111) PubChem (124917112) PubChem (125034663) PubChem (125034664) PubChem (125180673) PubChem (125180674) PubChem (125180675) PubChem (155392252) PubChem (162937386) PubChem (162937385) PubChem (126672052) PubChem (126672053) PubChem (175674103) PubChem (175889631) 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) | |||
| 5 | P, Q (A, B) | water | water | 18.0 | 29 | Chemie (HOH) |
Sequence modifications
A, B: 61 - 503 (UniProt: Q16850)
| PDB | External Database | Details |
|---|---|---|
| Gly 58 | - | expression tag |
| Lys 59 | - | expression tag |
| Leu 60 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 102105.1 | |
| Non-Polymers* | Number of molecules | 13 |
| Total formula weight | 6407.7 | |
| All* | Total formula weight | 108512.8 |
