7NRE
Crystal structure of E.coli BamA beta-barrel in complex with darobactin (crystal form 1)
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Outer membrane protein assembly factor BamA | polymer | 411 | 46022.8 | 1 | UniProt (P0A942) Pfam (PF01103) UniProt (by SIFTS) (P0A940) | Escherichia coli O157:H7 | |
| 2 | B (C) | Darobactin | polymer | 7 | 971.0 | 1 | BIRD (PRD_002330) | synthetic construct | |
| 3 | C, D, F, G (A) | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE | non-polymer | 306.4 | 4 | Chemie (C8E) | |||
| 4 | E, H (A) | MAGNESIUM ION | non-polymer | 24.3 | 2 | Chemie (MG) | |||
| 5 | I, J (A, C) | water | water | 18.0 | 201 | Chemie (HOH) |
Sequence modifications
A: 421 - 810 (UniProt: P0A942)
| PDB | External Database | Details |
|---|---|---|
| Met 400 | - | initiating methionine |
| Gly 401 | - | expression tag |
| Ser 402 | - | expression tag |
| Ser 403 | - | expression tag |
| His 404 | - | expression tag |
| His 405 | - | expression tag |
| His 406 | - | expression tag |
| His 407 | - | expression tag |
| His 408 | - | expression tag |
| His 409 | - | expression tag |
| Ser 410 | - | expression tag |
| Ser 411 | - | expression tag |
| Gly 412 | - | expression tag |
| Glu 413 | - | expression tag |
| Asn 414 | - | expression tag |
| Leu 415 | - | expression tag |
| Tyr 416 | - | expression tag |
| Phe 417 | - | expression tag |
| Gln 418 | - | expression tag |
| His 419 | - | expression tag |
| Met 420 | - | expression tag |
| Ser 690 | Cys 690 | conflict |
| Ser 700 | Cys 700 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 46993.8 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 1274.4 | |
| All* | Total formula weight | 48268.2 |
