3R1A
Closed crystal structure of cytochrome P450 2B4 covalently bound to the mechanism-based inactivator tert-butylphenylacetylene
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C, D, E... (A, B, C, D, E...) | Cytochrome P450 2B4 | polymer | 476 | 54169.1 | 8 | UniProt (P00178) Pfam (PF00067) | Oryctolagus cuniculus (European rabbit Japanese white rabbit domestic rabbit rabbits) | CYPIIB4, Cytochrome P450 isozyme 2, Cytochrome P450 LM2, Cytochrome P450 type B0, Cytochrome P450 type B1 |
| 2 | I, K, M, O, Q... (A, B, C, D, E...) | PROTOPORPHYRIN IX CONTAINING FE | non-polymer | 616.5 | 8 | Chemie (HEM) | |||
| 3 | J, L, N, P, R... (A, B, C, D, E...) | (4-tert-butylphenyl)acetaldehyde | non-polymer | 176.3 | 8 | Chemie (TB2) | |||
| 4 | AA, BA, CA, DA, EA... (C, D, E, F, G...) | water | water | 18.0 | 8 | Chemie (HOH) |
Sequence modifications
A, B, C, D, E, F, G, H: 20 - 491 (UniProt: P00178)
| PDB | External Database | Details |
|---|---|---|
| Ala 21 | Glu 2 | engineered mutation |
| - | Phe 3 | deletion |
| - | Ser 4 | deletion |
| - | Leu 5 | deletion |
| - | Leu 6 | deletion |
| - | Leu 7 | deletion |
| - | Leu 8 | deletion |
| - | Leu 9 | deletion |
| - | Ala 10 | deletion |
| - | Phe 11 | deletion |
| - | Leu 12 | deletion |
| - | Ala 14 | deletion |
| - | Gly 14 | deletion |
| - | Leu 15 | deletion |
| - | Leu 16 | deletion |
| - | Leu 17 | deletion |
| - | Leu 18 | deletion |
| - | Leu 19 | deletion |
| - | Phe 20 | deletion |
| - | Arg 21 | deletion |
| Lys 22 | Gly 22 | engineered mutation |
| Lys 23 | His 23 | engineered mutation |
| Thr 24 | Pro 24 | engineered mutation |
| Ser 25 | Lys 25 | engineered mutation |
| Ser 26 | Ala 26 | engineered mutation |
| Lys 27 | His 27 | engineered mutation |
| Lys 29 | Arg 29 | engineered mutation |
| Ser 221 | Pro 221 | conflict |
| Tyr 226 | His 226 | engineered mutation |
| His 492 | - | expression tag |
| His 493 | - | expression tag |
| His 494 | - | expression tag |
| His 495 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 8 |
| Total formula weight | 433352.7 | |
| Non-Polymers* | Number of molecules | 16 |
| Total formula weight | 6341.9 | |
| All* | Total formula weight | 439694.6 |
