2025-05-17_00000060
|
ligand
|
8ZK9
Crystal structure of the Decarboxylase KDC4427 mutant E468L in complex with phenylpyruvic acid;
X-ray diffraction 2.03Å
Protein #1
566 residues (95% resolved)
Raw Sequence ...
MGSSHHHHHHSQDPMRTPYCVADYLLDRLTDCGADHLFGVPGDYNLQFLDHVIDSPDICWVGCANELNASYAADGYARCKGFAALLTTFGVGELSAMNGIAGSYAEHVPVLHIVGAPGTASQQRGELLHHTLGDGEFRHFYHMSEPITVAQAILTEQNACYEIDRVLTTMLRERRPGYLMLPADVAKKAATPPVNALTLRHAHADSACLKAFRDAAENRLAMSKRTALLADFLVLRHGLKHALQKWVKDVPMAHATMLMGKGIFDERHVGFYGTYSGSASAGAVKEAIEGADTVLCIGTRFTDTLTAGFTHQLTPSQTIEVQPHASRVGDVWFTGIPMLQAIETLVELCKQHVHDTPVPSSQSAMVYPQPDGSLTQDNFWKTLQTFIRPGDIILADQGTSAFGAIDLRLPADVNFIVQPLWGSIGYTLAAAFGAQTACPNRRVIVLTGDGAAQLTIQELGSMLRDKQHPIILVLNNEGYTVLRAIHGPEQRYNDIALWNWTQIPQALSLDPQAQCWRVSEAEQLADVLEKVAHHERLSLIEVMLPKADIPPLLGAITKALEARNSA
Canonical Sequence ...
MGSSHHHHHHSQDPMRTPYCVADYLLDRLTDCGADHLFGVPGDYNLQFLDHVIDSPDICWVGCANELNASYAADGYARCKGFAALLTTFGVGELSAMNGIAGSYAEHVPVLHIVGAPGTASQQRGELLHHTLGDGEFRHFYHMSEPITVAQAILTEQNACYEIDRVLTTMLRERRPGYLMLPADVAKKAATPPVNALTLRHAHADSACLKAFRDAAENRLAMSKRTALLADFLVLRHGLKHALQKWVKDVPMAHATMLMGKGIFDERHVGFYGTYSGSASAGAVKEAIEGADTVLCIGTRFTDTLTAGFTHQLTPSQTIEVQPHASRVGDVWFTGIPMLQAIETLVELCKQHVHDTPVPSSQSAMVYPQPDGSLTQDNFWKTLQTFIRPGDIILADQGTSAFGAIDLRLPADVNFIVQPLWGSIGYTLAAAFGAQTACPNRRVIVLTGDGAAQLTIQELGSMLRDKQHPIILVLNNEGYTVLRAIHGPEQRYNDIALWNWTQIPQALSLDPQAQCWRVSEAEQLADVLEKVAHHERLSLIEVMLPKADIPPLLGAITKALEARNSA
Non polymer #2
MG
InChI=1S/Mg/q+2
InChI=1S/Mg/q+2
SMILES: [Mg+2]
[Mg+2]
Non polymer #3
PPY
InChI=1S/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12)
InChI=1S/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12)
SMILES: c1ccc(cc1)CC(=O)C(=O)O
c1ccc(cc1)CC(=O)C(=O)O
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
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
SMILES: Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O
Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O
Biounit #1
homo-dimer
Download coordinates
Tube
Model
Reference
100%