2026-06-27_00000211
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ligand
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9VLX
Directional amination enzyme;
X-ray diffraction 1.99Å
Protein #1
323 residues (99% resolved)
Raw Sequence ...
MATMDKVFAGYYARQKLLERSDNPFSKGIAYVEGKFVLPSEARIPLLDEGFMGSDLTYDGFHVWDGRFFRLDDHLQRLLESCDKMRLKFPLALSSVKKILVEMVAKSGIRDAMGKIIVTRGLTGVQGSKPEDLYNNNIYLLVLPYIWLMAPEKQRHGGSAIITRTVRRTPPGAFDPTIKNLQWGDLIRGMFEAKDRGATYPFLTDGDTHLTEGPGFNIVLVKNGILYTPDRGVLEGITRKSVIEVARANSIDVRLEVVPVETAYHADEIFMCTTGGGIMPITLLDGKPVNDGQVGPITKKIWDGYWEMHYNAAYSFPVDYGSD
Canonical Sequence ...
MATMDKVFAGYYARQKLLERSDNPFSKGIAYVEGKFVLPSEARIPLLDEGFMGSDLTYDGFHVWDGRFFRLDDHLQRLLESCDKMRLKFPLALSSVKKILVEMVAKSGIRDAMGKIIVTRGLTGVQGSKPEDLYNNNIYLLVLPYIWLMAPEKQRHGGSAIITRTVRRTPPGAFDPTIKNLQWGDLIRGMFEAKDRGATYPFLTDGDTHLTEGPGFNIVLVKNGILYTPDRGVLEGITRKSVIEVARANSIDVRLEVVPVETAYHADEIFMCTTGGGIMPITLLDGKPVNDGQVGPITKKIWDGYWEMHYNAAYSFPVDYGSD
Non polymer #2
A1ETM
InChI=1S/C15H16F3NO2/c16-12-9-14(18)13(17)7-10(12)6-11(20)8-15(21)19-4-2-1-3-5-19/h7,9H,1-6,8H2
InChI=1S/C15H16F3NO2/c16-12-9-14(18)13(17)7-10(12)6-11(20)8-15(21)19-4-2-1-3-5-19/h7,9H,1-6,8H2
SMILES: c1c(c(cc(c1F)F)F)CC(=O)CC(=O)N2CCCCC2
c1c(c(cc(c1F)F)F)CC(=O)CC(=O)N2CCCCC2
Non polymer #3
PLP
InChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)
InChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)
SMILES: Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O
Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O
Non polymer #4
PLR
InChI=1S/C8H12NO5P/c1-5-7(4-14-15(11,12)13)3-9-6(2)8(5)10/h3,10H,4H2,1-2H3,(H2,11,12,13)
InChI=1S/C8H12NO5P/c1-5-7(4-14-15(11,12)13)3-9-6(2)8(5)10/h3,10H,4H2,1-2H3,(H2,11,12,13)
SMILES: Cc1c(cnc(c1O)C)COP(=O)(O)O
Cc1c(cnc(c1O)C)COP(=O)(O)O
Biounit #1
homo-tetramer
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Model
Reference
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