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 | Cytochrome P450 2B4 | polymer | 476 | 54169.1 | 4 | UniProt (P00178) Pfam (PF00067) In PDB | 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 | beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose | branched | 342.3 | 4 | In PDB BIRD (PRD_900003) | sucrose | ||
3 | A, B, C, D | PROTOPORPHYRIN IX CONTAINING FE | non-polymer | 616.5 | 4 | Chemie (HEM) | |||
4 | A, B, C, D | (4-tert-butylphenyl)acetaldehyde | non-polymer | 176.3 | 4 | Chemie (TB2) | |||
5 | 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 |