8FDA
Human Cytochrome P450 17A1 in complex with steroidal isonitrile inhibitor
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) | Steroid 17-alpha-hydroxylase/17,20 lyase | polymer | 494 | 55740.1 | 4 | UniProt (P05093) Pfam (PF00067) | Homo sapiens (human) | 17-alpha-hydroxyprogesterone aldolase,CYPXVII,Cytochrome P450 17A1,Cytochrome P450-C17,Cytochrome P450c17,Steroid 17-alpha-monooxygenase |
| 2 | E, G, I, L (A, B, C, D) | PROTOPORPHYRIN IX CONTAINING FE | non-polymer | 616.5 | 4 | Chemie (HEM) | 17-alpha-hydroxyprogesterone aldolase,CYPXVII,Cytochrome P450 17A1,Cytochrome P450-C17,Cytochrome P450c17,Steroid 17-alpha-monooxygenase | ||
| 3 | F, H, J, K, M... (A, B, C, D) | [(1~{R})-1-[(3~{S},5~{S},8~{R},9~{S},10~{S},13~{S},17~{R})-3-methanoyloxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl]ethyl]-methylidyne-azanium | non-polymer | 357.5 | 6 | Chemie (XPK) | 17-alpha-hydroxyprogesterone aldolase,CYPXVII,Cytochrome P450 17A1,Cytochrome P450-C17,Cytochrome P450c17,Steroid 17-alpha-monooxygenase | ||
| 4 | O, P, Q, R (A, B, C, D) | water | water | 18.0 | 268 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 24 - 508 (UniProt: P05093)
| PDB | External Database | Details |
|---|---|---|
| Met 19 | - | initiating methionine |
| Ala 20 | - | expression tag |
| Lys 21 | - | expression tag |
| Lys 22 | - | expression tag |
| Thr 23 | - | expression tag |
| His 509 | - | expression tag |
| His 510 | - | expression tag |
| His 511 | - | expression tag |
| His 512 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 222960.6 | |
| Non-Polymers* | Number of molecules | 10 |
| Total formula weight | 4611.1 | |
| All* | Total formula weight | 227571.7 |
