3UZX
Crystal structure of 5beta-reductase (AKR1D1) E120H mutant in complex with NADP+ and epiandrosterone
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) | 3-oxo-5-beta-steroid 4-dehydrogenase | polymer | 346 | 39608.3 | 2 | UniProt (P51857) Pfam (PF00248) | Homo sapiens (human) | Aldo-keto reductase family 1 member D1, Delta(4)-3-ketosteroid 5-beta-reductase, Delta(4)-3-oxosteroid 5-beta-reductase |
| 2 | C, F (A, B) | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | non-polymer | 743.4 | 2 | Chemie (NAP) PubChem (5885) PubChem (46936685) PubChem (71717786) PubChem (4412) PubChem (90473931) PubChem (91972139) PubChem (145946263) PubChem (153311489) PubChem (174001641) PubChem (165382010) | |||
| 3 | D (A) | 5-ALPHA-ANDROSTANE-3-BETA,17BETA-DIOL | non-polymer | 292.5 | 1 | Chemie (AOM) | |||
| 4 | E, H, I, J (A, B) | CHLORIDE ION | non-polymer | 35.5 | 4 | Chemie (CL) PubChem (312) | |||
| 5 | G (B) | (3Beta,5alpha)-3-Hydroxyandrostan-17-one | non-polymer | 290.4 | 1 | Chemie (AOX) PubChem (16401171) PubChem (16758042) PubChem (16759306) PubChem (1769120) PubChem (2754130) PubChem (225) PubChem (5879) PubChem (5880) PubChem (23729586) PubChem (24131069) PubChem (24867471) PubChem (25322973) PubChem (10203) PubChem (11303) PubChem (44229240) PubChem (44279170) PubChem (44307864) PubChem (49791162) PubChem (1769123) PubChem (54227498) PubChem (56729943) PubChem (57016141) PubChem (247732) PubChem (57285837) PubChem (441302) PubChem (68086858) PubChem (68213430) PubChem (70320590) PubChem (70322138) PubChem (56605132) PubChem (57215542) PubChem (73707504) PubChem (736280) PubChem (76322307) PubChem (76325933) PubChem (908626) PubChem (2754097) PubChem (1274488) PubChem (66693019) PubChem (67797989) PubChem (2825511) PubChem (89888779) PubChem (90350276) PubChem (70867481) PubChem (70848855) PubChem (90350203) PubChem (5318140) PubChem (5318590) PubChem (118574610) PubChem (6420080) PubChem (7056348) PubChem (7056472) PubChem (5701989) PubChem (6432531) PubChem (6432554) PubChem (129449076) PubChem (6541182) PubChem (6603721) PubChem (6931620) PubChem (6954104) PubChem (7002085) PubChem (7056470) PubChem (7056471) PubChem (7058137) PubChem (7058148) PubChem (11868766) PubChem (12306761) PubChem (10732277) PubChem (11055399) PubChem (124338920) PubChem (124406580) PubChem (124406581) PubChem (11109055) PubChem (11243255) PubChem (141785439) PubChem (11868646) PubChem (11868647) PubChem (11868648) PubChem (11868649) PubChem (11868767) PubChem (11868768) PubChem (11868769) PubChem (11869362) PubChem (11869363) PubChem (11869364) PubChem (11869365) PubChem (11875890) PubChem (11890326) PubChem (11890327) PubChem (11957461) PubChem (12306765) PubChem (12306769) PubChem (12306774) PubChem (12306775) PubChem (124897014) PubChem (162929610) PubChem (126963739) PubChem (129010252) PubChem (129359754) PubChem (129371050) PubChem (129460659) PubChem (132262880) PubChem (133268989) PubChem (134689068) PubChem (141834015) PubChem (143325132) PubChem (143325143) PubChem (144685598) PubChem (144778705) PubChem (149037439) PubChem (156108981) PubChem (162929611) PubChem (162929612) PubChem (163897462) PubChem (163897463) PubChem (164643675) PubChem (166130508) PubChem (160413482) | |||
| 6 | K, L (A, B) | water | water | 18.0 | 596 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 326 (UniProt: P51857)
| PDB | External Database | Details |
|---|---|---|
| Met -19 | - | expression tag |
| Gly -18 | - | expression tag |
| Ser -17 | - | expression tag |
| Ser -16 | - | expression tag |
| His -15 | - | expression tag |
| His -14 | - | expression tag |
| His -13 | - | expression tag |
| His -12 | - | expression tag |
| His -11 | - | expression tag |
| His -10 | - | expression tag |
| Ser -9 | - | expression tag |
| Ser -8 | - | expression tag |
| Gly -7 | - | expression tag |
| Leu -6 | - | expression tag |
| Val -5 | - | expression tag |
| Pro -4 | - | expression tag |
| Arg -3 | - | expression tag |
| Gly -2 | - | expression tag |
| Ser -1 | - | expression tag |
| His 0 | - | expression tag |
| His 120 | Glu 120 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 79216.6 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 2211.5 | |
| All* | Total formula weight | 81428.1 |
