2025-05-17_00000061|ligand|8ZKA

Crystal structure of the Decarboxylase KDC4427 in complex with phenylpyruvic acid intermediate; X-ray diffraction 1.95Å
Protein #1 566 residues (95% resolved)

MGSSHHHHHHSQDPMRTPYCVADYLLDRLTDCGADHLFGVPGDYNLQFLDHVIDSPDICWVGCANELNASYAADGYARCKGFAALLTTFGVGELSAMNGIAGSYAEHVPVLHIVGAPGTASQQRGELLHHTLGDGEFRHFYHMSEPITVAQAILTEQNACYEIDRVLTTMLRERRPGYLMLPADVAKKAATPPVNALTLRHAHADSACLKAFRDAAENRLAMSKRTALLADFLVLRHGLKHALQKWVKDVPMAHATMLMGKGIFDERHVGFYGTYSGSASAGAVKEAIEGADTVLCIGTRFTDTLTAGFTHQLTPSQTIEVQPHASRVGDVWFTGIPMLQAIETLVELCKQHVHDTPVPSSQSAMVYPQPDGSLTQDNFWKTLQTFIRPGDIILADQGTSAFGAIDLRLPADVNFIVQPLWGSIGYTLAAAFGAQTACPNRRVIVLTGDGAAQLTIQELGSMLRDKQHPIILVLNNEGYTVERAIHGPEQRYNDIALWNWTQIPQALSLDPQAQCWRVSEAEQLADVLEKVAHHERLSLIEVMLPKADIPPLLGAITKALEARNSA

MGSSHHHHHHSQDPMRTPYCVADYLLDRLTDCGADHLFGVPGDYNLQFLDHVIDSPDICWVGCANELNASYAADGYARCKGFAALLTTFGVGELSAMNGIAGSYAEHVPVLHIVGAPGTASQQRGELLHHTLGDGEFRHFYHMSEPITVAQAILTEQNACYEIDRVLTTMLRERRPGYLMLPADVAKKAATPPVNALTLRHAHADSACLKAFRDAAENRLAMSKRTALLADFLVLRHGLKHALQKWVKDVPMAHATMLMGKGIFDERHVGFYGTYSGSASAGAVKEAIEGADTVLCIGTRFTDTLTAGFTHQLTPSQTIEVQPHASRVGDVWFTGIPMLQAIETLVELCKQHVHDTPVPSSQSAMVYPQPDGSLTQDNFWKTLQTFIRPGDIILADQGTSAFGAIDLRLPADVNFIVQPLWGSIGYTLAAAFGAQTACPNRRVIVLTGDGAAQLTIQELGSMLRDKQHPIILVLNNEGYTVERAIHGPEQRYNDIALWNWTQIPQALSLDPQAQCWRVSEAEQLADVLEKVAHHERLSLIEVMLPKADIPPLLGAITKALEARNSA
Non polymer #2 A1L14

InChI=1S/C20H26N4O8P2S/c1-13-18(8-9-31-34(29,30)32-33(26,27)28)35-20(17(25)10-15-6-4-3-5-7-15)24(13)12-16-11-22-14(2)23-19(16)21/h3-7,11,25H,8-10,12H2,1-2H3,(H,29,30)(H2,21,22,23)(H2,26,27,28)/b20-17+

Cc1ncc(c(n1)N)CN2C(=C(S/C2=C(Cc3ccccc3)/O)CCOP(=O)(O)OP(=O)(O)O)C
Non polymer #3 MG

InChI=1S/Mg/q+2

[Mg+2]
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Reference