2025-01-25_00000246
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ligand
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9FUO
Crystal structure of SNAr1.3 (K39A);
X-ray diffraction 1.81Å
Protein #1
242 residues (95% resolved)
Raw Sequence ...
MIRAVFFDSLGTLISVEGAYKVRLKIMEEVLGDYPLNPATLLDEYEKLAREAFSNYAGKPYRPMRDILEEVMRKLAEKYGFKYPENLREISLRMACRYGELYPEVVEVLKSLKGKYHVGDILQRDTEPATAFLDALGIKDLFDSITTSEEAGFFKPHPRIFELALKKAGVKGEKAVYVGDNPVKDAGGSKNLGMTSILLDRKGEKREFWDKADFIVSDLREVIKIVDELNGQGSLEHHHHHH
Canonical Sequence ...
MIRAVFFDSLGTLISVEGAYKVRLKIMEEVLGDYPLNPATLLDEYEKLAREAFSNYAGKPYRPMRDILEEVMRKLAEKYGFKYPENLREISLRMACRYGELYPEVVEVLKSLKGKYHVGDILQRDTEPATAFLDALGIKDLFDSITTSEEAGFFKPHPRIFELALKKAGVKGEKAVYVGDNPVKDAGGSKNLGMTSILLDRKGEKREFWDKADFIVSDLREVIKIVDELNGQGSLEHHHHHH
Non polymer #2
CL
InChI=1S/ClH/h1H/p-1
InChI=1S/ClH/h1H/p-1
SMILES: [Cl-]
[Cl-]
Non polymer #3
PEG
InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2
InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2
SMILES: C(COCCO)O
C(COCCO)O
Non polymer #4
PG4
InChI=1S/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2
InChI=1S/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2
SMILES: C(COCCOCCOCCO)O
C(COCCOCCOCCO)O
Non polymer #5
PGE
InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2
InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2
SMILES: C(COCCOCCO)O
C(COCCOCCO)O
Biounit #1
monomer
Download coordinates
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Model
Reference
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