3KW4
Crystal structure of cytochrome 2B4 in complex with the anti-platelet drug ticlopidine
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Cytochrome P450 2B4 | polymer | 476 | 54169.1 | 1 | UniProt (P00178) Pfam (PF00067) | Oryctolagus cuniculus (rabbit) | CYPIIB4, P450-LM2, Isozyme 2, P450 types B0 and B1 |
| 2 | B (A) | PROTOPORPHYRIN IX CONTAINING FE | non-polymer | 616.5 | 1 | Chemie (HEM) | |||
| 3 | C (A) | ticlopidine | non-polymer | 263.8 | 1 | Chemie (TIC) | |||
| 4 | D, E (A) | 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE | non-polymer | 494.6 | 2 | Chemie (CM5) | |||
| 5 | F (A) | 2-{[(3alpha,5alpha,7alpha,8alpha,10alpha,12alpha,17alpha)-3,12-bis{2-[(4-O-alpha-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]ethoxy}cholan-7-yl]oxy}ethyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside | non-polymer | 1483.6 | 1 | Chemie (CH0) | |||
| 6 | G (A) | water | water | 18.0 | 31 | Chemie (HOH) |
Sequence modifications
A: 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 13 | 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 | SEE REMARK 999 |
| 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 | 1 |
| Total formula weight | 54169.1 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 3353.0 | |
| All* | Total formula weight | 57522.1 |
