6JZS
Structure of the Manganese Protoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan in complex with Pyridine
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, C) | Bifunctional cytochrome P450/NADPH--P450 reductase | polymer | 494 | 56253.9 | 2 | UniProt (P14779) Pfam (PF00067) | Bacillus megaterium | Cytochrome P450(BM-3),Cytochrome P450BM-3,Fatty acid monooxygenase,Flavocytochrome P450 BM3 |
| 2 | C, G, H (A, C) | pyridine | non-polymer | 79.1 | 3 | Chemie (0PY) | |||
| 3 | D, I (A, C) | (2S)-2-[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1H-indol-3-yl)propanoic acid | non-polymer | 488.7 | 2 | Chemie (WAA) | |||
| 4 | E, J (A, C) | MANGANESE PROTOPORPHYRIN IX | non-polymer | 615.6 | 2 | Chemie (MNH) | |||
| 5 | F, K, L, M (A, C) | GLYCEROL | non-polymer | 92.1 | 4 | Chemie (GOL) | |||
| 6 | N, O (A, C) | water | water | 18.0 | 526 | Chemie (HOH) |
Sequence modifications
A, C: 0 - 456 (UniProt: P14779)
| PDB | External Database | Details |
|---|---|---|
| Met -31 | - | expression tag |
| Gly -30 | - | expression tag |
| Ser -29 | - | expression tag |
| Ser -28 | - | expression tag |
| His -27 | - | expression tag |
| His -26 | - | expression tag |
| His -25 | - | expression tag |
| His -24 | - | expression tag |
| His -23 | - | expression tag |
| His -22 | - | expression tag |
| Ser -21 | - | expression tag |
| Ser -20 | - | expression tag |
| Gly -19 | - | expression tag |
| Leu -18 | - | expression tag |
| Val -17 | - | expression tag |
| Pro -16 | - | expression tag |
| Arg -15 | - | expression tag |
| Gly -14 | - | expression tag |
| Ser -13 | - | expression tag |
| His -12 | - | expression tag |
| Met -11 | - | expression tag |
| Ala -10 | - | expression tag |
| Ser -9 | - | expression tag |
| Glu -8 | - | expression tag |
| Asn -7 | - | expression tag |
| Leu -6 | - | expression tag |
| Tyr -5 | - | expression tag |
| Phe -4 | - | expression tag |
| Gln -3 | - | expression tag |
| Gly -2 | - | expression tag |
| Ser -1 | - | expression tag |
| Leu 457 | - | expression tag |
| Pro 458 | - | expression tag |
| Ala 459 | - | expression tag |
| Thr 460 | - | expression tag |
| Gly 461 | - | expression tag |
| Gly 462 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 112507.9 | |
| Non-Polymers* | Number of molecules | 11 |
| Total formula weight | 2814.2 | |
| All* | Total formula weight | 115322.0 |
