3EJD
Crystal Structure of P450BioI in complex with hexadec-9Z-enoic acid ligated Acyl Carrier Protein
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, C, E, G (A, C, E, G) | Acyl carrier protein | polymer | 97 | 10685.6 | 4 | UniProt (P0A6A8) Pfam (PF00550) | Escherichia coli | ACP, Cytosolic-activating factor, CAF, Fatty acid synthase acyl carrier protein |
| 2 | B, D, F, H (B, D, F, H) | Biotin biosynthesis cytochrome P450-like enzyme | polymer | 404 | 45988.4 | 4 | UniProt (P53554) Pfam (PF00067) | Bacillus subtilis | |
| 3 | I, N, R, W (A, C, E, G) | S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (9Z)-hexadec-9-enethioate | non-polymer | 594.7 | 4 | Chemie (ZMQ) | |||
| 4 | J, K, O, Q, S... (A, C, D, E, F...) | heptyl 1-thio-beta-D-glucopyranoside | non-polymer | 294.4 | 8 | Chemie (HTG) | |||
| 5 | L, P, T, Y (B, D, F, H) | PROTOPORPHYRIN IX CONTAINING FE | non-polymer | 616.5 | 4 | Chemie (HEM) | |||
| 6 | M, V (B, F) | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
| 7 | AA, BA, CA, DA, EA... (A, B, C, D, E...) | water | water | 18.0 | 1010 | Chemie (HOH) |
Sequence modifications
A, C, E, G: 20 - 97 (UniProt: P0A6A8)
B, D, F, H: 1 - 394 (UniProt: P53554)
| PDB | External Database | Details |
|---|---|---|
| Gly 1 | - | expression tag |
| Ser 2 | - | expression tag |
| Ser 3 | - | expression tag |
| His 4 | - | expression tag |
| His 5 | - | expression tag |
| His 6 | - | expression tag |
| His 7 | - | expression tag |
| His 8 | - | expression tag |
| His 9 | - | expression tag |
| Ser 10 | - | expression tag |
| Ser 11 | - | expression tag |
| Gly 12 | - | expression tag |
| Leu 13 | - | expression tag |
| Val 14 | - | expression tag |
| Pro 15 | - | expression tag |
| Arg 16 | - | expression tag |
| Gly 17 | - | expression tag |
| Ser 18 | - | expression tag |
| His 19 | - | expression tag |
| PDB | External Database | Details |
|---|---|---|
| Ala 395 | - | expression tag |
| Ser 396 | - | expression tag |
| Trp 397 | - | expression tag |
| Ser 398 | - | expression tag |
| His 399 | - | expression tag |
| Pro 400 | - | expression tag |
| Gln 401 | - | expression tag |
| Phe 402 | - | expression tag |
| Glu 403 | - | expression tag |
| Lys 404 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 8 |
| Total formula weight | 226695.9 | |
| Non-Polymers* | Number of molecules | 18 |
| Total formula weight | 7271.1 | |
| All* | Total formula weight | 233967.0 |
