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) | 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) PubChem (16220011) PubChem (16758160) PubChem (19615208) PubChem (20848917) PubChem (40469851) PubChem (40785049) PubChem (40785050) PubChem (143796510) PubChem (2825665) PubChem (10204) PubChem (51519) PubChem (71045971) PubChem (908607) PubChem (51508681) PubChem (6925433) PubChem (6994116) PubChem (57094693) PubChem (57185304) PubChem (12304594) PubChem (12304595) PubChem (58483165) PubChem (59847731) PubChem (59859271) PubChem (70987786) PubChem (70987811) PubChem (71045973) PubChem (71051775) PubChem (71085514) PubChem (117072371) PubChem (121384949) PubChem (5408) PubChem (3034651) PubChem (6013) PubChem (242356) PubChem (369323) PubChem (124711639) PubChem (124711640) PubChem (638016) PubChem (711503) PubChem (908606) PubChem (908608) PubChem (1312122) PubChem (5701998) PubChem (6432567) PubChem (6541863) PubChem (6954100) PubChem (6954101) PubChem (6976807) PubChem (126527172) PubChem (7048589) PubChem (7213985) PubChem (7213991) PubChem (7985137) PubChem (10108190) PubChem (11861311) PubChem (11862155) PubChem (11869421) PubChem (11869422) PubChem (11869423) PubChem (11870497) PubChem (11890585) PubChem (11890586) PubChem (11920270) PubChem (12304591) PubChem (12304592) PubChem (133562488) PubChem (135012819) PubChem (139228436) PubChem (141791996) PubChem (142296689) PubChem (142774791) PubChem (143701725) PubChem (155332323) PubChem (162460416) PubChem (162931702) PubChem (163788316) PubChem (169085516) | |||
| 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 |
