Heterodimeric ABC transporter BmrCD in the inward-facing conformation bound to ATP: BmrCD_IF-ATP2
Resolution: 3.33 Å
EM Method: Single-particle
Fitted PDBs: 8t3k
Q-score: 0.418
Tang Q, Sinclair M, Hasdemir HS, Stein RA, Karakas E, Tajkhorshid E, Mchaourab HS
Nat Commun (2023) 14 pp. 7184-7184 [ Pubmed: 37938578 DOI: doi:10.1038/s41467-023-42937-5 ]
- Adenosine-5'-triphosphate (507 Da, Ligand)
- Probable multidrug resistance abc transporter atp-binding/permease protein yheh (77 kDa, Protein from Bacillus subtilis subsp. subtilis str. 168)
- Probable multidrug resistance abc transporter atp-binding/permease protein yhei (67 kDa, Protein from Bacillus subtilis subsp. subtilis str. 168)
- (2s)-3-(hexadecanoyloxy)-2-[(9z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate (760 Da, Ligand)
- Heterodimeric bmrcd with ligands atp and lipids (Complex from Bacillus subtilis subsp. subtilis str. 168)
Heterodimeric ABC transporter BmrCD in the occluded conformation bound to ATP: BmrCD_OC-ATP
Resolution: 2.9 Å
EM Method: Single-particle
Fitted PDBs: 8fhk
Q-score: 0.454
Tang Q, Sinclair M, Hasdemir HS, Stein RA, Karakas E, Tajkhorshid E, Mchaourab HS
Nat Commun (2023) 14 pp. 7184-7184 [ Pubmed: 37938578 DOI: doi:10.1038/s41467-023-42937-5 ]
- Adenosine-5'-triphosphate (507 Da, Ligand)
- Probable multidrug resistance abc transporter atp-binding/permease protein yheh (77 kDa, Protein from Bacillus subtilis subsp. subtilis str. 168)
- Magnesium ion (24 Da, Ligand)
- Probable multidrug resistance abc transporter atp-binding/permease protein yhei (67 kDa, Protein from Bacillus subtilis subsp. subtilis str. 168)
- (2s)-3-(hexadecanoyloxy)-2-[(9z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate (760 Da, Ligand)
- Heterodimeric bmrcd with ligands atp and lipids (Complex from Bacillus subtilis subsp. subtilis str. 168)
Resolution: 3.34 Å
EM Method: Single-particle
Fitted PDBs: 8fmv
Q-score: 0.489
Tang Q, Sinclair M, Hasdemir HS, Stein RA, Karakas E, Tajkhorshid E, Mchaourab HS
Nat Commun (2023) 14 pp. 7184-7184 [ Pubmed: 37938578 DOI: doi:10.1038/s41467-023-42937-5 ]
- Adenosine-5'-triphosphate (507 Da, Ligand)
- Probable multidrug resistance abc transporter atp-binding/permease protein yheh (77 kDa, Protein from Bacillus subtilis subsp. subtilis str. 168)
- Heterodimeric bmrcd with ht1, atp, mg2+ and lipids (Complex from Bacillus subtilis subsp. subtilis str. 168)
- Magnesium ion (24 Da, Ligand)
- Probable multidrug resistance abc transporter atp-binding/permease protein yhei (67 kDa, Protein from Bacillus subtilis subsp. subtilis str. 168)
- (2s)-3-(hexadecanoyloxy)-2-[(9z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate (760 Da, Ligand)
- 2'-(4-ethoxyphenyl)-5-(4-methyl-1-piperazinyl)-2,5'-bi-benzimidazole (452 Da, Ligand)
Resolution: 3.06 Å
EM Method: Single-particle
Fitted PDBs: 8szc
Q-score: 0.494
Tang Q, Sinclair M, Hasdemir HS, Stein RA, Karakas E, Tajkhorshid E, Mchaourab HS
Nat Commun (2023) 14 pp. 7184-7184 [ DOI: doi:10.1038/s41467-023-42937-5 Pubmed: 37938578 ]
- Adenosine-5'-triphosphate (507 Da, Ligand)
- 2'-(4-ethoxyphenyl)-5-(4-methyl-1-piperazinyl)-2,5'-bi-benzimidazole (452 Da, Ligand)
- Magnesium ion (24 Da, Ligand)
- Heterodimeric bmrcd with ligands atp and lipids (Complex from Bacillus subtilis subsp. subtilis str. 168)
- Probable multidrug resistance abc transporter atp-binding/permease protein yheh (77 kDa, Protein from Bacillus subtilis subsp. subtilis str. 168)
- (2s)-3-(hexadecanoyloxy)-2-[(9z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate (760 Da, Ligand)
- Probable multidrug resistance abc transporter atp-binding/permease protein yhei (67 kDa, Protein from Bacillus subtilis subsp. subtilis str. 168)
Resolution: 2.96 Å
EM Method: Single-particle
Fitted PDBs: 8t1p
Q-score: 0.526
Tang Q, Sinclair M, Hasdemir HS, Stein RA, Karakas E, Tajkhorshid E, Mchaourab HS
Nat Commun (2023) 14 pp. 7184-7184 [ Pubmed: 37938578 DOI: doi:10.1038/s41467-023-42937-5 ]
- Adp orthovanadate (544 Da, Ligand)
- Heterodimeric bmrcd with ligands atp/aov and lipids (Complex from Bacillus subtilis subsp. subtilis str. 168)
- Adenosine-5'-triphosphate (507 Da, Ligand)
- Probable multidrug resistance abc transporter atp-binding/permease protein yheh (77 kDa, Protein from Bacillus subtilis subsp. subtilis str. 168)
- Magnesium ion (24 Da, Ligand)
- (2s)-3-(hexadecanoyloxy)-2-[(9z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate (760 Da, Ligand)
- Probable multidrug resistance abc transporter atp-binding/permease protein yhei (67 kDa, Protein from Bacillus subtilis subsp. subtilis str. 168)
Resolution: 3.55 Å
EM Method: Single-particle
Fitted PDBs: 7m33
Q-score: 0.393
Thaker TM, Mishra S, Zhou W, Mohan M, Tang Q, Faraldo-Gomez JD, Mchaourab HS, Tomasiak TM
Nat Chem Biol (2022) 18 pp. 226-235 [ DOI: doi:10.1038/s41589-021-00936-x Pubmed: 34931066 ]
- Adenosine-5'-triphosphate (507 Da, Ligand)
- Probable multidrug resistance abc transporter atp-binding/permease protein yheh (77 kDa, Protein from Bacillus subtilis subsp. subtilis str. 168)
- Bmrcd (141 kDa, Complex from Bacillus subtilis)
- Probable multidrug resistance abc transporter atp-binding/permease protein yhei (67 kDa, Protein from Bacillus subtilis subsp. subtilis str. 168)
- 2'-(4-ethoxyphenyl)-5-(4-methyl-1-piperazinyl)-2,5'-bi-benzimidazole (452 Da, Ligand)