2024-03-30_00000000|ligand|8B4G

Structure of a fungal LPMO bound to ligands; X-ray diffraction 1.50Å

Protein #1 228 residues (100% resolved)

Raw Sequence ...

(HIC)GFVQNIVIDGKNYGGYLVNQYPYMSNPPEVIAWSTTATDLGFVDGTGYQTPDIICHRGAKPGALTAPVSPGGTVELQWTPWPDSHHGPVINYLAPCNGDCSTVDKTQLEFFKIAESGLINDDNPPGIWASDNLIAANNSWTVTIPTTIAPGNYVLRHEIIALHSAQNQDGAQNYPQCINLQVTGGGSDNPAGTLGTALYHDTDPGILINIYQKLSSYIIPGPPLYTG

Canonical Sequence ...

HGFVQNIVIDGKNYGGYLVNQYPYMSNPPEVIAWSTTATDLGFVDGTGYQTPDIICHRGAKPGALTAPVSPGGTVELQWTPWPDSHHGPVINYLAPCNGDCSTVDKTQLEFFKIAESGLINDDNPPGIWASDNLIAANNSWTVTIPTTIAPGNYVLRHEIIALHSAQNQDGAQNYPQCINLQVTGGGSDNPAGTLGTALYHDTDPGILINIYQKLSSYIIPGPPLYTG

Non polymer #2 2HA

InChI=1S/C3H6O3/c4-1-3(6)2-5/h4-5H,1-2H2

SMILES: C(C(=O)CO)O

C(C(=O)CO)O

Non polymer #3 AKR

InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)

SMILES: C=CC(=O)O

C=CC(=O)O

Non polymer #4 CL

InChI=1S/ClH/h1H/p-1

SMILES: [Cl-]

[Cl-]

Non polymer #5 CU

InChI=1S/Cu/q+2

SMILES: [Cu+2]

[Cu+2]

Non polymer #6 NAG

InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1

SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O

CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O

Biounit #1 monomer

Reference