2026-10-31_00000571
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ligand
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30NX
Cryo-EM structure of Acinetobacter baumannii LolDF bound to abaucin with lipoprotein;
Electron microscopy 3.38Å
Protein #1
224 residues (100% resolved)
Raw Sequence ...
KVVLEAKDIYKHFDDGKSKVEVIKGLSLQVEAGQFVSIVGASGSGKSTLLHVLGGLDQPTKGQVFLNGQHFDNLGEAERGFQRNQFLGFVYQFHHLLPEFTALENVAMPLMLRADSQYKSVKAQAEYLLDRVGLSHRMDHKPGELSGGERQRVALARALVTKPAVVLEDEPTGNLDRKTAVGIFELLTDLKKELNMAMLIVTHDEQLAQAADSILHMEDGLWVN
Canonical Sequence ...
KVVLEAKDIYKHFDDGKSKVEVIKGLSLQVEAGQFVSIVGASGSGKSTLLHVLGGLDQPTKGQVFLNGQHFDNLGEAERGFQRNQFLGFVYQFHHLLPEFTALENVAMPLMLRADSQYKSVKAQAEYLLDRVGLSHRMDHKPGELSGGERQRVALARALVTKPAVVLEDEPTGNLDRKTAVGIFELLTDLKKELNMAMLIVTHDEQLAQAADSILHMEDGLWVN
Protein #2
410 residues (100% resolved)
Raw Sequence ...
MFKPISLYIGLRYTRARRSNHFISFIALVSMVGLTLGVAVLITVLSVMNGFDRELKNRVLGMVPQATVSSTQILTDWPELVKRVENHPHVTGVAPFTQLQGMLTAQGQVAGIMVTGIDPKYEKNVSIIQNHIVAGSLDSLKKGEFGIVLGKDMADSLGLRLNDSVTLVLPEATPSPAGVVPRFKRFKVVGIFSVGAEVDSMVGYIALYDASTLLRLPDGAQGVRLKLDDIFAAPQVADDIVKNLPSNFYATNWTYTHGNLFNAIQMEKTLVGLLLVLIIVVAAFNIVSSLVMVVTDKKSDIAILRTLGASPSMITKIFMVQGTVIGVIGTVAGTVLGVILALTISDIISWFNNVLGLNLFDAYFVHYLPSYLRWQDVTIIVIVSLLLSFLATIYPALRAAKVQPAEALRY
Canonical Sequence ...
MFKPISLYIGLRYTRARRSNHFISFIALVSMVGLTLGVAVLITVLSVMNGFDRELKNRVLGMVPQATVSSTQILTDWPELVKRVENHPHVTGVAPFTQLQGMLTAQGQVAGIMVTGIDPKYEKNVSIIQNHIVAGSLDSLKKGEFGIVLGKDMADSLGLRLNDSVTLVLPEATPSPAGVVPRFKRFKVVGIFSVGAEVDSMVGYIALYDASTLLRLPDGAQGVRLKLDDIFAAPQVADDIVKNLPSNFYATNWTYTHGNLFNAIQMEKTLVGLLLVLIIVVAAFNIVSSLVMVVTDKKSDIAILRTLGASPSMITKIFMVQGTVIGVIGTVAGTVLGVILALTISDIISWFNNVLGLNLFDAYFVHYLPSYLRWQDVTIIVIVSLLLSFLATIYPALRAAKVQPAEALRY
Non polymer #3
CYS
InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
SMILES: C([C@@H](C(=O)O)N)S
C([C@@H](C(=O)O)N)S
Non polymer #4
R6Q
InChI=1S/C21H21F3N2O2/c22-21(23,24)16-7-5-15(6-8-16)9-12-26-13-10-20(11-14-26)17-3-1-2-4-18(17)25-19(27)28-20/h1-8H,9-14H2,(H,25,27)
InChI=1S/C21H21F3N2O2/c22-21(23,24)16-7-5-15(6-8-16)9-12-26-13-10-20(11-14-26)17-3-1-2-4-18(17)25-19(27)28-20/h1-8H,9-14H2,(H,25,27)
SMILES: c1ccc2c(c1)C3(CCN(CC3)CCc4ccc(cc4)C(F)(F)F)OC(=O)N2
c1ccc2c(c1)C3(CCN(CC3)CCc4ccc(cc4)C(F)(F)F)OC(=O)N2
Non polymer #5
SER
InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1
InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1
SMILES: C([C@@H](C(=O)O)N)O
C([C@@H](C(=O)O)N)O
Non polymer #6
Z41
InChI=1S/C35H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36H,3-32H2,1-2H3/t33-/m0/s1
InChI=1S/C35H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36H,3-32H2,1-2H3/t33-/m0/s1
SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCC
CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCC
Biounit #1
hetero-2-2-mer
Download coordinates
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Model
Reference
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