3G5N
Triple ligand occupancy crystal structure of cytochrome P450 2B4 in complex with the inhibitor 1-biphenyl-4-methyl-1H-imidazole
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, P450-LM2, Isozyme 2, P450 types B0 and B1 |
| 2 | E, K, O, U (A, B, C, D) | PROTOPORPHYRIN IX CONTAINING FE | non-polymer | 616.5 | 4 | Chemie (HEM) | |||
| 3 | F, G, I, J, L... (A, B, C, D) | 1-(biphenyl-4-ylmethyl)-1H-imidazole | non-polymer | 234.3 | 12 | Chemie (PB2) PubChem (12229396) | |||
| 4 | H, N, S, T (A, B, C, D) | 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE | non-polymer | 494.6 | 4 | Chemie (CM5) PubChem (58112563) PubChem (44483217) PubChem (46897875) PubChem (70796429) PubChem (70839941) PubChem (70863059) PubChem (59518660) PubChem (68343857) PubChem (89951995) PubChem (73659147) PubChem (5142094) PubChem (5327073) PubChem (92132104) PubChem (126731025) PubChem (126735874) PubChem (133612054) | |||
| 5 | AA, BA, Y, Z (C, D, A, B) | water | water | 18.0 | 180 | Chemie (HOH) |
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 | 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 | 4 |
| Total formula weight | 216676.3 | |
| Non-Polymers* | Number of molecules | 20 |
| Total formula weight | 7255.8 | |
| All* | Total formula weight | 223932.1 |
