2024-09-07_00000054
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ligand
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8QF6
Sulfoxide synthase from Chloracidobacterium thermophilum, EgtB type II, in complex with iron and trimethylhistidine;
X-ray diffraction 2.20Å
Protein #1
434 residues (92% resolved)
Raw Sequence ...
MEAARSHPEPIQSGEVSDRKAWQRHYRAVRAVSEAICQPLETEDYVVQPMPDVSPPKWHLGHTSWFFETFILKSGLADYRPFHPRYDYIFNSYYEAVGARHPRPQRGLLTRPTVSEVYAYRAHVDAAVERFIAHSDTRTWAALQPILELGLHHEQQHQELLLTDIKAILATNPLDPVYRPQPQPLPSPVEQLSPTGDWHIVEGGRYAIGHAGRGFAFDNEGPRHDVLLRPCRIAARPVTNGEFLAFMADGGYRRPELWLSDGWAAVTARGWEAPLYWRQAADGTWETLTLHGVQPVAPYEPVCHISFYEADAYARWAGKRLPTEAEWEVVAARLPVTGNFYESGVLHPRPVSVSAAFYGDVWVWTASPYVGYPGFRPVSGALGEYNGKFMCNQMVLRGGSCATSLTHIRSTYRNFFPPDARWQFTGVRLAEDMS
Canonical Sequence ...
MEAARSHPEPIQSGEVSDRKAWQRHYRAVRAVSEAICQPLETEDYVVQPMPDVSPPKWHLGHTSWFFETFILKSGLADYRPFHPRYDYIFNSYYEAVGARHPRPQRGLLTRPTVSEVYAYRAHVDAAVERFIAHSDTRTWAALQPILELGLHHEQQHQELLLTDIKAILATNPLDPVYRPQPQPLPSPVEQLSPTGDWHIVEGGRYAIGHAGRGFAFDNEGPRHDVLLRPCRIAARPVTNGEFLAFMADGGYRRPELWLSDGWAAVTARGWEAPLYWRQAADGTWETLTLHGVQPVAPYEPVCHISFYEADAYARWAGKRLPTEAEWEVVAARLPVTGNFYESGVLHPRPVSVSAAFYGDVWVWTASPYVGYPGFRPVSGALGEYNGKFMCNQMVLRGGSCATSLTHIRSTYRNFFPPDARWQFTGVRLAEDMS
Non polymer #2
FE
InChI=1S/Fe/q+3
InChI=1S/Fe/q+3
SMILES: [Fe+3]
[Fe+3]
Non polymer #3
UCQ
InChI=1S/C9H15N3O2/c1-11(2)8(9(13)14)4-7-5-10-6-12(7)3/h5-6,8H,4H2,1-3H3,(H,13,14)/t8-/m0/s1
InChI=1S/C9H15N3O2/c1-11(2)8(9(13)14)4-7-5-10-6-12(7)3/h5-6,8H,4H2,1-3H3,(H,13,14)/t8-/m0/s1
SMILES: Cn1cncc1C[C@@H](C(=O)O)N(C)C
Cn1cncc1C[C@@H](C(=O)O)N(C)C
Biounit #1
homo-tetramer
Download coordinates
Tube
Model
Reference
100%