2024-10-26_00000225
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ligand
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9BS5
Bacteroides ovatus GH97C Sus;
X-ray diffraction 1.46Å
Protein #1
724 residues (95% resolved)
Raw Sequence ...
MHHHHHHQQKLTSPDGNLVLTFQVNKEGAPTYDLTYKGKVVIKPSTLGLELKKEDNTRTDFDWVDRRDLTKLDSKSNLYNGFKLKDAQTTTFDETWQPVWGEEKEIRNQYNELAVILFQPMNDRSIVVRFRLFNDGLGFRYEFPQQKSLNYFVIKEEHSQFAMAGNHIAYWIPGDYDTQEYDYTISRLSEIRGLMQQAITPNSSQTPFSPTGVQTALMMKTDDGLYINLHEAALIDYSCMHLNLDDKNMIFESWLTPDAKGDKGYMQTPCNSPWRTIIVSDDARNILASRITLNLNEPCKIADAASWIKPVKYIGVWWDMITGKGSWAYTDELTSVKLGVTDYSKTKPNGKHSANTANVKRYIDFAAANGFDAVLVEGWNEGWEDWFGNSKDYVFDFLTAYPDFDVQEIHRYAASKGIKMMMHHETSASVRNYERHLDKAYQFMVDNGYNSVKSGYVGNIIPRGEHHYGQWMNNHYLYAVKKAADYKIMVNAHEATRPTGICRTYPNLIGNESARGTEYESFGGNKVYHTTILPFTRLVGGPMDYTPGIFETHCNQMNPANNSQVRSTIARQLALYVTMYSPLQMAADIPENYERFMDAFQFIKDVALDWDKTIYLEAEPGEYITIARKAKGTDDWYIGCTAGENGHDSQLTFDFLEPGKQYVATVYADAKDADWKDNPQAYTIKKGILNNKSKLNLHAANGGGYAISIKEVKNKSEVKGLKRL
Canonical Sequence ...
MHHHHHHQQKLTSPDGNLVLTFQVNKEGAPTYDLTYKGKVVIKPSTLGLELKKEDNTRTDFDWVDRRDLTKLDSKSNLYNGFKLKDAQTTTFDETWQPVWGEEKEIRNQYNELAVILFQPMNDRSIVVRFRLFNDGLGFRYEFPQQKSLNYFVIKEEHSQFAMAGNHIAYWIPGDYDTQEYDYTISRLSEIRGLMQQAITPNSSQTPFSPTGVQTALMMKTDDGLYINLHEAALIDYSCMHLNLDDKNMIFESWLTPDAKGDKGYMQTPCNSPWRTIIVSDDARNILASRITLNLNEPCKIADAASWIKPVKYIGVWWDMITGKGSWAYTDELTSVKLGVTDYSKTKPNGKHSANTANVKRYIDFAAANGFDAVLVEGWNEGWEDWFGNSKDYVFDFLTAYPDFDVQEIHRYAASKGIKMMMHHETSASVRNYERHLDKAYQFMVDNGYNSVKSGYVGNIIPRGEHHYGQWMNNHYLYAVKKAADYKIMVNAHEATRPTGICRTYPNLIGNESARGTEYESFGGNKVYHTTILPFTRLVGGPMDYTPGIFETHCNQMNPANNSQVRSTIARQLALYVTMYSPLQMAADIPENYERFMDAFQFIKDVALDWDKTIYLEAEPGEYITIARKAKGTDDWYIGCTAGENGHDSQLTFDFLEPGKQYVATVYADAKDADWKDNPQAYTIKKGILNNKSKLNLHAANGGGYAISIKEVKNKSEVKGLKRL
Non polymer #2
CA
InChI=1S/Ca/q+2
InChI=1S/Ca/q+2
SMILES: [Ca+2]
[Ca+2]
Non polymer #3
EDO
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
SMILES: C(CO)O
C(CO)O
Non polymer #4
FMT
InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)
InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)
SMILES: C(=O)O
C(=O)O
Non polymer #5
NA
InChI=1S/Na/q+1
InChI=1S/Na/q+1
SMILES: [Na+]
[Na+]
Non polymer #6
PEG
InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2
InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2
SMILES: C(COCCO)O
C(COCCO)O
Non polymer #7
PGE
InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2
InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2
SMILES: C(COCCOCCO)O
C(COCCOCCO)O
Biounit #1
hetero-2-2-mer
Download coordinates
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Model
Reference
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