2026-10-03_00000148
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ligand
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38YY
Crystal structure of Phosphoribosylaminoimidazole carboxylase from Burkholderia xenovorans in complex with 5'-sulfamoyladenosine;
X-ray diffraction 2.79Å
Protein #1
397 residues (98% resolved)
Raw Sequence ...
MAHHHHHHSPILPGAWLGMVGGGQLGRMFCFAAQAMGYRVAVLDPDENSPAGAVADRHLRAAYNDEASLTELARLCAAVSTEFENVPAASLDFLARTTFVSPAGRCVAVAQDRIAEKRFIASSGVTVAPHVVIESSDALAALDDAKLEAVLPGILKTARMGYDGKGQIRVRNAEEVREAHASLAGVPCVLEKRLPLKFEVSALIARAASGASVVYPLAQNTHRDGVLSHTIVPAPDASPTLVQQAQQAALQIADKLGYVGVLCVEFFILEDGSLVANEMAPRPHNSGHYTVDACATSQFEQQVRAMTGMPLGDTRQHSPAVMLNILGDVWFPDGPKRPAVTPPWQEVAAMPAARLHLYGKEEARCGRKMGHVNFTAATLEEARTAARDCARLLHIIT
Canonical Sequence ...
MAHHHHHHSPILPGAWLGMVGGGQLGRMFCFAAQAMGYRVAVLDPDENSPAGAVADRHLRAAYNDEASLTELARLCAAVSTEFENVPAASLDFLARTTFVSPAGRCVAVAQDRIAEKRFIASSGVTVAPHVVIESSDALAALDDAKLEAVLPGILKTARMGYDGKGQIRVRNAEEVREAHASLAGVPCVLEKRLPLKFEVSALIARAASGASVVYPLAQNTHRDGVLSHTIVPAPDASPTLVQQAQQAALQIADKLGYVGVLCVEFFILEDGSLVANEMAPRPHNSGHYTVDACATSQFEQQVRAMTGMPLGDTRQHSPAVMLNILGDVWFPDGPKRPAVTPPWQEVAAMPAARLHLYGKEEARCGRKMGHVNFTAATLEEARTAARDCARLLHIIT
Non polymer #2
CL
InChI=1S/ClH/h1H/p-1
InChI=1S/ClH/h1H/p-1
SMILES: [Cl-]
[Cl-]
Non polymer #3
LMS
InChI=1S/C10H14N6O6S/c11-8-5-9(14-2-13-8)16(3-15-5)10-7(18)6(17)4(22-10)1-21-23(12,19)20/h2-4,6-7,10,17-18H,1H2,(H2,11,13,14)(H2,12,19,20)/t4-,6-,7-,10-/m1/s1
InChI=1S/C10H14N6O6S/c11-8-5-9(14-2-13-8)16(3-15-5)10-7(18)6(17)4(22-10)1-21-23(12,19)20/h2-4,6-7,10,17-18H,1H2,(H2,11,13,14)(H2,12,19,20)/t4-,6-,7-,10-/m1/s1
SMILES: c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)N)O)O)N
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)N)O)O)N
Non polymer #4
MG
InChI=1S/Mg/q+2
InChI=1S/Mg/q+2
SMILES: [Mg+2]
[Mg+2]
Non polymer #5
MLI
InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)/p-2
InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)/p-2
SMILES: C(C(=O)[O-])C(=O)[O-]
C(C(=O)[O-])C(=O)[O-]
Biounit #1
monomer
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Biounit #2
monomer
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Biounit #3
monomer
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Biounit #4
monomer
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