2025-07-05_00000017|ligand|8YXY

NADPH and 1-benzyl-4-methylpiperidin-3-one complex structure of Imine Reductase Mutant(M6) from Pochonia chlamydosporia 170; X-ray diffraction 1.13Å
Protein #1 293 residues (99% resolved)

MSSSNKPHVSLIGLGNMGLAIANCLIKSGCKLTVWNRSAEKAASLVPQGATVAATPAECVASSPTIVICLLNQDVVQQTLDEVIDLSGKTIINLTNGTPQQAVKVATLVQQRGAESYIHGAIMTTPEYLGQPSSVTLISGPKTAYESQKELLSSIGTTRHVSDDIAKASLLDNALLSVMSGVFEGWVQALAIVGAAGEDEVDFAALASPLVASMADQLPVIAGRVREKQYVGGSPITMGLEALENISETSRELGVGVLLGSMREVMSEAVKKGKGGESIAGLVPMLTELDKKW

MSSSNKPHVSLIGLGNMGLAIANCLIKSGCKLTVWNRSAEKAASLVPQGATVAATPAECVASSPTIVICLLNQDVVQQTLDEVIDLSGKTIINLTNGTPQQAVKVATLVQQRGAESYIHGAIMTTPEYLGQPSSVTLISGPKTAYESQKELLSSIGTTRHVSDDIAKASLLDNALLSVMSGVFEGWVQALAIVGAAGEDEVDFAALASPLVASMADQLPVIAGRVREKQYVGGSPITMGLEALENISETSRELGVGVLLGSMREVMSEAVKKGKGGESIAGLVPMLTELDKKW
Non polymer #2 A1D7O

InChI=1S/C13H17NO/c1-11-7-8-14(10-13(11)15)9-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3/t11-/m1/s1

C[C@@H]1CCN(CC1=O)Cc2ccccc2
Non polymer #3 NAP

InChI=1S/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1

c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N
Non polymer #4 PEG

InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2

C(COCCO)O
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