6LY4
The crystal structure of the BM3 mutant LG-23 in complex with testosterone
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Bifunctional cytochrome P450/NADPH--P450 reductase | polymer | 481 | 55391.8 | 1 | UniProt (P14779) Pfam (PF00067) | Bacillus megaterium (strain ATCC 14581 / DSM 32 / JCM 2506 / NBRC 15308 / NCIMB 9376 / NCTC 10342 / VKM B-512) | Cytochrome P450(BM-3),Cytochrome P450BM-3,Fatty acid monooxygenase,Flavocytochrome P450 BM3 |
| 2 | B (A) | TESTOSTERONE | non-polymer | 288.4 | 1 | Chemie (TES) | |||
| 3 | C (A) | IMIDAZOLE | non-polymer | 69.1 | 1 | Chemie (IMD) | |||
| 4 | D, E, F, G, H... (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 7 | Chemie (EDO) | |||
| 5 | K (A) | PROTOPORPHYRIN IX CONTAINING FE | non-polymer | 616.5 | 1 | Chemie (HEM) | |||
| 6 | L (A) | water | water | 18.0 | 467 | Chemie (HOH) |
Sequence modifications
A: 2 - 456 (UniProt: P14779)
| PDB | External Database | Details |
|---|---|---|
| Met -24 | - | initiating methionine |
| Lys -23 | - | expression tag |
| His -22 | - | expression tag |
| His -21 | - | expression tag |
| His -20 | - | expression tag |
| His -19 | - | expression tag |
| His -18 | - | expression tag |
| His -17 | - | expression tag |
| Pro -16 | - | expression tag |
| Met -15 | - | expression tag |
| Ser -14 | - | expression tag |
| Asp -13 | - | expression tag |
| Tyr -12 | - | expression tag |
| Asp -11 | - | expression tag |
| Ile -10 | - | expression tag |
| Pro -9 | - | expression tag |
| Thr -8 | - | expression tag |
| Thr -7 | - | expression tag |
| Glu -6 | - | expression tag |
| Asn -5 | - | expression tag |
| Leu -4 | - | expression tag |
| Tyr -3 | - | expression tag |
| Phe -2 | - | expression tag |
| Gln -1 | - | expression tag |
| Gly 0 | - | expression tag |
| Ala 1 | - | expression tag |
| Trp 47 | Arg 48 | engineered mutation |
| Trp 72 | Ser 73 | engineered mutation |
| Tyr 77 | Phe 78 | engineered mutation |
| Leu 78 | Val 79 | engineered mutation |
| Ile 81 | Phe 82 | engineered mutation |
| Leu 82 | Ala 83 | engineered mutation |
| Gly 87 | Phe 88 | engineered mutation |
| Ser 88 | Thr 89 | engineered mutation |
| Thr 177 | Met 178 | engineered mutation |
| Gln 185 | Met 186 | engineered mutation |
| Gln 188 | Leu 189 | engineered mutation |
| Thr 209 | Ile 210 | engineered mutation |
| Gly 328 | Ala 329 | engineered mutation |
| Trp 330 | Ala 331 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 55391.8 | |
| Non-Polymers* | Number of molecules | 10 |
| Total formula weight | 1408.5 | |
| All* | Total formula weight | 56800.3 |
