7AXL
Crystal structure of the hPXR-LBD in complex with estradiol and heptachlor endo-epoxide
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Nuclear receptor subfamily 1 group I member 2 | polymer | 320 | 36747.5 | 1 | UniProt (O75469) Pfam (PF00104) | Homo sapiens (Human) | Orphan nuclear receptor PAR1,Orphan nuclear receptor PXR,Pregnane X receptor,Steroid and xenobiotic receptor,SXR |
| 2 | B (A) | ESTRADIOL | non-polymer | 272.4 | 1 | Chemie (EST) PubChem (16757676) PubChem (1807201) PubChem (43912931) PubChem (44284023) PubChem (46781508) PubChem (177015577) PubChem (1807200) PubChem (54403267) PubChem (56624791) PubChem (57041922) PubChem (58650893) PubChem (59084698) PubChem (5317222) PubChem (68014581) PubChem (68209947) PubChem (70220248) PubChem (70864205) PubChem (450) PubChem (12313788) PubChem (5757) PubChem (5998) PubChem (10596) PubChem (14880) PubChem (68570) PubChem (91740223) PubChem (162947701) PubChem (101691329) PubChem (667480) PubChem (667515) PubChem (721867) PubChem (166849971) PubChem (928284) PubChem (118548795) PubChem (1258565) PubChem (5317221) PubChem (5745505) PubChem (6328313) PubChem (6432565) PubChem (6560352) PubChem (6603846) PubChem (126969992) PubChem (129010410) PubChem (129317336) PubChem (6918968) PubChem (6919041) PubChem (7000012) PubChem (7004689) PubChem (7048584) PubChem (7048670) PubChem (130307439) PubChem (130307440) PubChem (7061189) PubChem (7067800) PubChem (9795489) PubChem (9811784) PubChem (9903595) PubChem (9938293) PubChem (11869602) PubChem (11870431) PubChem (12313787) PubChem (12313791) PubChem (12313794) PubChem (143489158) PubChem (144605119) PubChem (145157829) PubChem (145610824) PubChem (154109755) PubChem (172873304) | |||
| 3 | C (A) | heptachlor endo-epoxide | non-polymer | 389.3 | 1 | Chemie (S65) PubChem (21723536) PubChem (23617352) PubChem (176489591) PubChem (16760173) PubChem (53393442) PubChem (2762731) PubChem (71317194) PubChem (71774759) PubChem (124680483) PubChem (13930) PubChem (91747988) PubChem (91747989) PubChem (91748025) PubChem (92176695) PubChem (94865622) PubChem (98173881) PubChem (98173957) PubChem (102014130) PubChem (102014131) PubChem (117065196) PubChem (122390596) PubChem (124680484) PubChem (124918734) PubChem (124918735) PubChem (11963734) PubChem (138394051) PubChem (12054527) PubChem (154825158) PubChem (15559699) PubChem (15559705) PubChem (15559706) PubChem (16212247) PubChem (16212294) PubChem (168720044) PubChem (175675798) | |||
| 4 | D (A) | (4S)-2-METHYL-2,4-PENTANEDIOL | non-polymer | 118.2 | 1 | Chemie (MPD) | |||
| 5 | E (A) | water | water | 18.0 | 89 | Chemie (HOH) |
Sequence modifications
A: 130 - 434 (UniProt: O75469)
| PDB | External Database | Details |
|---|---|---|
| Met 119 | - | initiating methionine |
| Lys 120 | - | expression tag |
| Lys 121 | - | expression tag |
| Gly 122 | - | expression tag |
| His 123 | - | expression tag |
| His 124 | - | expression tag |
| His 125 | - | expression tag |
| His 126 | - | expression tag |
| His 127 | - | expression tag |
| His 128 | - | expression tag |
| Gly 129 | - | expression tag |
| Leu 435 | - | expression tag |
| Val 436 | - | expression tag |
| Pro 437 | - | expression tag |
| Arg 438 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 36747.5 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 779.9 | |
| All* | Total formula weight | 37527.3 |
