2025-01-18_00000059
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ligand
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8XWO
Vibrio harveyi chitoporin in complex with minocycline;
X-ray diffraction 3.40Å
Protein #1
350 residues (95% resolved)
Raw Sequence ...
DGANSDAAKEYLTKDSFSYEVYGIIAMQAAYRDYDSGDAKQDDNLGGMQLNNESRIGFRGKKQFANFEPTFIWQIEGGYVDPSFGGEGAGLGERDTFVGFESASWGQVRLGRVLTPMYELVDWPASNPGLGDVYDWGGAIGGAKYQDRQSNTIRWDSPMYADKFSIDAAVGAGDKAGLGAGDDYWGGIAAHYKLGPLQLDAAYEGNRNIEAEGQTWENNTYLVGVQGWFENGISFFAQYKYMEADASNGVNEKQDAMSAGLMYTTGDWQYKLGYAANFDLERDGKTLSNTSDDVVSAQIMYFVDPSAVLYARARMNDFNEGLDGLDDAARWTSGTNGDYNEYSVGVEYYF
Canonical Sequence ...
DGANSDAAKEYLTKDSFSYEVYGIIAMQAAYRDYDSGDAKQDDNLGGMQLNNESRIGFRGKKQFANFEPTFIWQIEGGYVDPSFGGEGAGLGERDTFVGFESASWGQVRLGRVLTPMYELVDWPASNPGLGDVYDWGGAIGGAKYQDRQSNTIRWDSPMYADKFSIDAAVGAGDKAGLGAGDDYWGGIAAHYKLGPLQLDAAYEGNRNIEAEGQTWENNTYLVGVQGWFENGISFFAQYKYMEADASNGVNEKQDAMSAGLMYTTGDWQYKLGYAANFDLERDGKTLSNTSDDVVSAQIMYFVDPSAVLYARARMNDFNEGLDGLDDAARWTSGTNGDYNEYSVGVEYYF
Non polymer #2
C8E
InChI=1S/C16H34O5/c1-2-3-4-5-6-7-9-18-11-13-20-15-16-21-14-12-19-10-8-17/h17H,2-16H2,1H3
InChI=1S/C16H34O5/c1-2-3-4-5-6-7-9-18-11-13-20-15-16-21-14-12-19-10-8-17/h17H,2-16H2,1H3
SMILES: CCCCCCCCOCCOCCOCCOCCO
CCCCCCCCOCCOCCOCCOCCO
Non polymer #3
MIY
InChI=1S/C23H27N3O7/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28/h5-6,9,11,17,27,29-30,33H,7-8H2,1-4H3,(H2,24,32)/t9-,11-,17-,23-/m0/s1
InChI=1S/C23H27N3O7/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28/h5-6,9,11,17,27,29-30,33H,7-8H2,1-4H3,(H2,24,32)/t9-,11-,17-,23-/m0/s1
SMILES: CN(C)c1ccc(c2c1C[C@H]3C[C@H]4[C@@H](C(=C(C(=O)[C@]4(C(=C3C2=O)O)O)C(=O)N)O)N(C)C)O
CN(C)c1ccc(c2c1C[C@H]3C[C@H]4[C@@H](C(=C(C(=O)[C@]4(C(=C3C2=O)O)O)C(=O)N)O)N(C)C)O
Non polymer #4
NA
InChI=1S/Na/q+1
InChI=1S/Na/q+1
SMILES: [Na+]
[Na+]
Biounit #1
homo-trimer
Download coordinates
Biounit #2
homo-trimer
Download coordinates
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Model
Reference
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