2026-04-18_00000058
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hard
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29OM
Crystal structure of the staphylococcal efflux pump QacA in the outward open state;
X-ray diffraction 2.83Å
Protein #1
520 residues (99% resolved)
Raw Sequence ...
MISFFTKTTDMMTSKKRWTALVVLAVSLFVVTMDMTILIMALPELVRELEPSGTQQLWIVDIYSLVLAGFIIPLSAFADKWGRKKALLTGFALFGLVSLAIFFAESAEFVIAIRFLLGIAGALIMPTTLSMIRVIFENPKERATALAVWSIASSIGAVFGPIIGGALLEQFSWHSAFLINVPFAIIAVVAGLFLLPESKLSKEKSHSWDIPSTILSIAGMIGLVWSIKEFSKEGLADIIPWVVIVLAITMIVIFVKRNLSSSDPMLDVRLFKKRSFSAGTIAAFMTMFAMASVLLLASQWLQVVEELSPFKAGLYLLPMAIGDMVFAPIAPGLAARFGPKIVLPSGIGIAAIGMFIMYFFGHPLSYSTMALALILVGAGMASLAVASALIMLETPTSKAGNAAAVEESMYDLGNVFGVAVLGSLSSMLYRVFLDISSFSSKGIVGDLAHVAEESVVGAVEVAKATGIKQLANEAVTSFNDAFVATALVGGIIMIIISIVVYLLIPKSLDITKQKLEVLFQ
Canonical Sequence ...
MISFFTKTTDMMTSKKRWTALVVLAVSLFVVTMDMTILIMALPELVRELEPSGTQQLWIVDIYSLVLAGFIIPLSAFADKWGRKKALLTGFALFGLVSLAIFFAESAEFVIAIRFLLGIAGALIMPTTLSMIRVIFENPKERATALAVWSIASSIGAVFGPIIGGALLEQFSWHSAFLINVPFAIIAVVAGLFLLPESKLSKEKSHSWDIPSTILSIAGMIGLVWSIKEFSKEGLADIIPWVVIVLAITMIVIFVKRNLSSSDPMLDVRLFKKRSFSAGTIAAFMTMFAMASVLLLASQWLQVVEELSPFKAGLYLLPMAIGDMVFAPIAPGLAARFGPKIVLPSGIGIAAIGMFIMYFFGHPLSYSTMALALILVGAGMASLAVASALIMLETPTSKAGNAAAVEESMYDLGNVFGVAVLGSLSSMLYRVFLDISSFSSKGIVGDLAHVAEESVVGAVEVAKATGIKQLANEAVTSFNDAFVATALVGGIIMIIISIVVYLLIPKSLDITKQKLEVLFQ
Non polymer #2
3PH
InChI=1S/C39H77O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-36H2,1-2H3,(H2,42,43,44)/t37-/m1/s1
InChI=1S/C39H77O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-36H2,1-2H3,(H2,42,43,44)/t37-/m1/s1
SMILES: CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCC
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCC
Non polymer #3
LMU
InChI=1S/C24H46O11/c1-2-3-4-5-6-7-8-9-10-11-12-32-23-21(31)19(29)22(16(14-26)34-23)35-24-20(30)18(28)17(27)15(13-25)33-24/h15-31H,2-14H2,1H3/t15-,16-,17-,18+,19-,20-,21-,22-,23+,24-/m1/s1
InChI=1S/C24H46O11/c1-2-3-4-5-6-7-8-9-10-11-12-32-23-21(31)19(29)22(16(14-26)34-23)35-24-20(30)18(28)17(27)15(13-25)33-24/h15-31H,2-14H2,1H3/t15-,16-,17-,18+,19-,20-,21-,22-,23+,24-/m1/s1
SMILES: CCCCCCCCCCCCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O
CCCCCCCCCCCCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O
Non polymer #4
NA
InChI=1S/Na/q+1
InChI=1S/Na/q+1
SMILES: [Na+]
[Na+]
Non polymer #5
PGT
InChI=1S/C40H79O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h37-38,41-42H,3-36H2,1-2H3,(H,45,46)/t37-,38+/m1/s1
InChI=1S/C40H79O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h37-38,41-42H,3-36H2,1-2H3,(H,45,46)/t37-,38+/m1/s1
SMILES: CCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OC[C@@H](CO)O
CCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OC[C@@H](CO)O
Non polymer #6
PTY
InChI=1S/C40H80NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41)36-46-39(42)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h38H,3-37,41H2,1-2H3,(H,44,45)/t38-/m1/s1
InChI=1S/C40H80NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41)36-46-39(42)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h38H,3-37,41H2,1-2H3,(H,44,45)/t38-/m1/s1
SMILES: CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)CO[P@@](=O)(O)OCCN
CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)CO[P@@](=O)(O)OCCN
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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