3R1B
Open 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 (A, B, C, D) | Cytochrome P450 2B4 | polymer | 476 | 54169.1 | 4 | 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 | E, F, G, H (E, F, G, H) | beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose | branched | 342.3 | 4 | In PDB BIRD (PRD_900003) | sucrose | ||
| 3 | I, M, Q, S (A, B, C, D) | PROTOPORPHYRIN IX CONTAINING FE | non-polymer | 616.5 | 4 | Chemie (HEM) | |||
| 4 | J, N, R, T (A, B, C, D) | (4-tert-butylphenyl)acetaldehyde | non-polymer | 176.3 | 4 | Chemie (TB2) | |||
| 5 | K, L, O, P, U (A, B, D) | 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE | non-polymer | 494.6 | 5 | Chemie (CM5) |
Sequence modifications
A, B, C, D: 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 | 4 |
| Total formula weight | 216676.3 | |
| Branched | Number of molecules | 4 |
| Total formula weight | 1369.2 | |
| Non-Polymers* | Number of molecules | 13 |
| Total formula weight | 5643.8 | |
| All* | Total formula weight | 223689.3 |
