2024-08-17_00000192
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medium
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9FCE
BelI in complex with SAM from Streptomyces sp. UCK14;
X-ray diffraction 1.95Å
Protein #1
229 residues (91% resolved)
Raw Sequence ...
GSAQTFEIKGNDLWDPTTFDALRRQLIPSFDLIYEAAVRTVAATVPTAPRVLDLGAGTGLLSAAILRELPDSEVVLVDRSELMLTQARGRFASQDGVTVQTGDLTDPLPEGGFDAVVSGLAIHHLSHTGKRDLFRRIREALRPGGVFVNVEQVQGPLPHLESLYDSQHELHVIREQAPAHEWAAGRERMKFDVCIDLETQLQWLRDAGFRSVDCLAKDFRFATYAGWVS
Canonical Sequence ...
GSAQTFEIKGNDLWDPTTFDALRRQLIPSFDLIYEAAVRTVAATVPTAPRVLDLGAGTGLLSAAILRELPDSEVVLVDRSELMLTQARGRFASQDGVTVQTGDLTDPLPEGGFDAVVSGLAIHHLSHTGKRDLFRRIREALRPGGVFVNVEQVQGPLPHLESLYDSQHELHVIREQAPAHEWAAGRERMKFDVCIDLETQLQWLRDAGFRSVDCLAKDFRFATYAGWVS
Non polymer #2
BU3
InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m1/s1
InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m1/s1
SMILES: C[C@H]([C@@H](C)O)O
C[C@H]([C@@H](C)O)O
Non polymer #3
CA
InChI=1S/Ca/q+2
InChI=1S/Ca/q+2
SMILES: [Ca+2]
[Ca+2]
Non polymer #4
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 #5
SAM
InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27-/m0/s1
InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27-/m0/s1
SMILES: C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O
C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O
Biounit #1
monomer
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Biounit #2
monomer
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Model
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