4MMD
Crystal structure of LeuBAT (delta6 mutant) in complex with (S)-duloxetine
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | Transporter | polymer | 519 | 58068.4 | 2 | UniProt (O67854) Pfam (PF00209) | Aquifex aeolicus | |
| 2 | C, D, I, J (A, B) | SODIUM ION | non-polymer | 23.0 | 4 | Chemie (NA) | |||
| 3 | E, K (A, B) | (3S)-N-methyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propan-1-amine | non-polymer | 297.4 | 2 | Chemie (29E) | |||
| 4 | F, G, H (A) | octyl beta-D-glucopyranoside | non-polymer | 292.4 | 3 | Chemie (BOG) | |||
| 5 | L, M (A, B) | water | water | 18.0 | 119 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 513 (UniProt: O67854)
| PDB | External Database | Details |
|---|---|---|
| Tyr 21 | Asn 21 | engineered mutation |
| Asp 24 | Gly 24 | engineered mutation |
| Ser 254 | Thr 254 | engineered mutation |
| Gly 256 | Ser 256 | engineered mutation |
| Phe 265 | Tyr 265 | engineered mutation |
| Gly 359 | Ile 359 | engineered mutation |
| Gly 514 | - | expression tag |
| Thr 515 | - | expression tag |
| Leu 516 | - | expression tag |
| Val 517 | - | expression tag |
| Pro 518 | - | expression tag |
| Arg 519 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 116136.8 | |
| Non-Polymers* | Number of molecules | 9 |
| Total formula weight | 1563.9 | |
| All* | Total formula weight | 117700.7 |
