3WMG
Crystal structure of an inward-facing eukaryotic ABC multidrug transporter G277V/A278V/A279V mutant in complex with an cyclic peptide inhibitor, aCAP
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | ATP-binding cassette, sub-family B, member 1 | polymer | 621 | 67420.1 | 1 | UniProt (M1VAN7) Pfam (PF00664) Pfam (PF00005) | Cyanidioschyzon merolae | |
| 2 | B (B) | anti-CmABCB1 peptide | polymer | 19 | 2111.4 | 1 | BIRD (PRD_001229) | ||
| 3 | C, D, E, F, H (A, B) | DECYL-BETA-D-MALTOPYRANOSIDE | non-polymer | 482.6 | 5 | Chemie (DMU) PubChem (24776995) PubChem (16396531) PubChem (24802064) PubChem (45253991) PubChem (45254001) PubChem (45253971) PubChem (49866911) PubChem (56845266) PubChem (3637526) PubChem (58112552) PubChem (59518661) PubChem (5288091) PubChem (70796430) PubChem (70839938) PubChem (71307274) PubChem (95370474) PubChem (95370475) PubChem (95370476) PubChem (98046559) PubChem (98046561) PubChem (95370473) PubChem (100941450) PubChem (100950626) PubChem (98046563) PubChem (5288728) PubChem (101207920) PubChem (102219024) PubChem (126735852) PubChem (118704896) PubChem (123134571) PubChem (124867949) PubChem (124867950) PubChem (124867951) PubChem (124867952) PubChem (126731012) PubChem (126731036) PubChem (126735974) PubChem (168490163) | |||
| 4 | G (A) | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL | non-polymer | 122.1 | 1 | Chemie (TRS) PubChem (3777159) | |||
| 5 | I (A) | water | water | 18.0 | 101 | Chemie (HOH) |
Sequence modifications
A: 93 - 696 (UniProt: M1VAN7)
| PDB | External Database | Details |
|---|---|---|
| Val 277 | Gly 277 | engineered mutation |
| Val 278 | Ala 278 | engineered mutation |
| Val 279 | Ala 279 | engineered mutation |
| Ser 697 | - | expression tag |
| Gly 698 | - | expression tag |
| Arg 699 | - | expression tag |
| Asp 700 | - | expression tag |
| Tyr 701 | - | expression tag |
| Lys 702 | - | expression tag |
| Asp 703 | - | expression tag |
| Asp 704 | - | expression tag |
| Asp 705 | - | expression tag |
| Asp 706 | - | expression tag |
| Lys 707 | - | expression tag |
| His 708 | - | expression tag |
| His 709 | - | expression tag |
| His 710 | - | expression tag |
| His 711 | - | expression tag |
| His 712 | - | expression tag |
| His 713 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 69531.5 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 2535.0 | |
| All* | Total formula weight | 72066.4 |
