2024-06-29_00000155|ligand|8TCC

GTP Cyclohydrolase-IB with dehydrocostus lactone; X-ray diffraction 3.10Å

Protein #1 303 residues (81% resolved)

Raw Sequence ...

MGSSHHHHHHSSGLVPRGSHMASMTGGQQMGRGSMNLMNPEFAMPDVQSTVDTRQMPIQRVGVRAVRHPLTVRTAEGETQATVGTWNLDVHLPADQKGTHMSRFVALLEERGGPLTADAFRTMLATMLEKLEARAGRIEVSFPYFVNKTAPVSGVRSLLDYEVTLTGDVRDGLTRVFAKVLVPVTSLCP(SNC)SKKISQYGAHNQRSHVTIDAELAADVPVEDLIRIAEEEASCELWGLLKRPDEKFVTERAYENPKFVEDLVRDVARRLDADERIVAYVLEAENFESIHNHSAYALIERDKRRGA

Canonical Sequence ...

MGSSHHHHHHSSGLVPRGSHMASMTGGQQMGRGSMNLMNPEFAMPDVQSTVDTRQMPIQRVGVRAVRHPLTVRTAEGETQATVGTWNLDVHLPADQKGTHMSRFVALLEERGGPLTADAFRTMLATMLEKLEARAGRIEVSFPYFVNKTAPVSGVRSLLDYEVTLTGDVRDGLTRVFAKVLVPVTSLCPCSKKISQYGAHNQRSHVTIDAELAADVPVEDLIRIAEEEASCELWGLLKRPDEKFVTERAYENPKFVEDLVRDVARRLDADERIVAYVLEAENFESIHNHSAYALIERDKRRGA

Non polymer #2 EDO

InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2

SMILES: C(CO)O

C(CO)O

Non polymer #3 MN

InChI=1S/Mn/q+2

SMILES: [Mn+2]

[Mn+2]

Non polymer #4 SO3

InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)/p-2

SMILES: [O-]S(=O)[O-]

[O-]S(=O)[O-]

Non polymer #5 ZS9

InChI=1S/C15H20O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h10-14H,1-2,4-7H2,3H3/t10-,11-,12+,13-,14+/m0/s1

SMILES: C[C@H]1[C@H]2CCC(=C)[C@@H]3CCC(=C)[C@@H]3[C@@H]2OC1=O

C[C@H]1[C@H]2CCC(=C)[C@@H]3CCC(=C)[C@@H]3[C@@H]2OC1=O

Biounit #1 homo-tetramer

Reference