2026-08-29_00000158|ligand|9PXH

Crystal structure of bovine ALDH3A1 in complex with Non-Canonical Redox Cofactors, NMN+; X-ray diffraction 1.77Å
Protein #1 452 residues (100% resolved)

SAISEVVQRARAAFNSGRTRPLQFRVQQLEGLRRLIREREKDLVGALAADLHKNEWTAYYEEIVYVLEEIDYMIRKLPEWAADEPVEKTPHTQQDEAYIHSEPLGVVLIIGSWNYPFNLTIQPMVGAIAAGNAVVLKPSELSENTASLLATILPQYLDQDLYPVINGGVAETTEVLKERFDHILFTGSTGVGRVVMMAAAKHLTPVTLELGGKNPCYVDKDCDLDIACRRIAWGKFMNSGQTCVAPDYILCDPSIQSQVVEKLKKSLKEFYGEDAKKSRDYGRIINSRHFQRVMGLLEGQKVTYGGTGDATTRYIAPTILTDVDPESPVMQEEVFGPVLPIMCVRSLEEAIQFITQREKPLALYVFSPNDKVIKKMIAETSSGGVTANDVVVHISVHSLPYGGVGDSGMGSYHGRKSFETFSHRRSCLVRPLLNEETLKARYPPSPAKMPRH

SAISEVVQRARAAFNSGRTRPLQFRVQQLEGLRRLIREREKDLVGALAADLHKNEWTAYYEEIVYVLEEIDYMIRKLPEWAADEPVEKTPHTQQDEAYIHSEPLGVVLIIGSWNYPFNLTIQPMVGAIAAGNAVVLKPSELSENTASLLATILPQYLDQDLYPVINGGVAETTEVLKERFDHILFTGSTGVGRVVMMAAAKHLTPVTLELGGKNPCYVDKDCDLDIACRRIAWGKFMNSGQTCVAPDYILCDPSIQSQVVEKLKKSLKEFYGEDAKKSRDYGRIINSRHFQRVMGLLEGQKVTYGGTGDATTRYIAPTILTDVDPESPVMQEEVFGPVLPIMCVRSLEEAIQFITQREKPLALYVFSPNDKVIKKMIAETSSGGVTANDVVVHISVHSLPYGGVGDSGMGSYHGRKSFETFSHRRSCLVRPLLNEETLKARYPPSPAKMPRH
Non polymer #2 EDO

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

C(CO)O
Non polymer #3 FMT

InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)

C(=O)O
Non polymer #4 MG

InChI=1S/Mg/q+2

[Mg+2]
Non polymer #5 NMN

InChI=1S/C11H15N2O8P/c12-10(16)6-2-1-3-13(4-6)11-9(15)8(14)7(21-11)5-20-22(17,18)19/h1-4,7-9,11,14-15H,5H2,(H3-,12,16,17,18,19)/p+1/t7-,8-,9-,11-/m1/s1

c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N
Non polymer #6 PGE

InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2

C(COCCOCCO)O
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Reference