2025-05-17_00000059|ligand|8ZK8

Crystal structure of the Decarboxylase KDC4427 mutant E468L in complex with indole-3-pyruvic acid; X-ray diffraction 2.16Å
Protein #1 566 residues (95% resolved)

MGSSHHHHHHSQDPMRTPYCVADYLLDRLTDCGADHLFGVPGDYNLQFLDHVIDSPDICWVGCANELNASYAADGYARCKGFAALLTTFGVGELSAMNGIAGSYAEHVPVLHIVGAPGTASQQRGELLHHTLGDGEFRHFYHMSEPITVAQAILTEQNACYEIDRVLTTMLRERRPGYLMLPADVAKKAATPPVNALTLRHAHADSACLKAFRDAAENRLAMSKRTALLADFLVLRHGLKHALQKWVKDVPMAHATMLMGKGIFDERHVGFYGTYSGSASAGAVKEAIEGADTVLCIGTRFTDTLTAGFTHQLTPSQTIEVQPHASRVGDVWFTGIPMLQAIETLVELCKQHVHDTPVPSSQSAMVYPQPDGSLTQDNFWKTLQTFIRPGDIILADQGTSAFGAIDLRLPADVNFIVQPLWGSIGYTLAAAFGAQTACPNRRVIVLTGDGAAQLTIQELGSMLRDKQHPIILVLNNEGYTVLRAIHGPEQRYNDIALWNWTQIPQALSLDPQAQCWRVSEAEQLADVLEKVAHHERLSLIEVMLPKADIPPLLGAITKALEARNSA

MGSSHHHHHHSQDPMRTPYCVADYLLDRLTDCGADHLFGVPGDYNLQFLDHVIDSPDICWVGCANELNASYAADGYARCKGFAALLTTFGVGELSAMNGIAGSYAEHVPVLHIVGAPGTASQQRGELLHHTLGDGEFRHFYHMSEPITVAQAILTEQNACYEIDRVLTTMLRERRPGYLMLPADVAKKAATPPVNALTLRHAHADSACLKAFRDAAENRLAMSKRTALLADFLVLRHGLKHALQKWVKDVPMAHATMLMGKGIFDERHVGFYGTYSGSASAGAVKEAIEGADTVLCIGTRFTDTLTAGFTHQLTPSQTIEVQPHASRVGDVWFTGIPMLQAIETLVELCKQHVHDTPVPSSQSAMVYPQPDGSLTQDNFWKTLQTFIRPGDIILADQGTSAFGAIDLRLPADVNFIVQPLWGSIGYTLAAAFGAQTACPNRRVIVLTGDGAAQLTIQELGSMLRDKQHPIILVLNNEGYTVLRAIHGPEQRYNDIALWNWTQIPQALSLDPQAQCWRVSEAEQLADVLEKVAHHERLSLIEVMLPKADIPPLLGAITKALEARNSA
Non polymer #2 3IO

InChI=1S/C11H9NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H,14,15)

c1ccc2c(c1)c(c[nH]2)CC(=O)C(=O)O
Non polymer #3 MG

InChI=1S/Mg/q+2

[Mg+2]
Non polymer #4 TPP

InChI=1S/C12H18N4O7P2S/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21)/p+1

Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O
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Reference