2026-10-03_00000200
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ligand
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9SX8
Crystal structure of eSNAr1.3 (K39A) in complex with 2,4-dinitrobromobenzene;
X-ray diffraction 2.10Å
Protein #1
242 residues (96% resolved)
Raw Sequence ...
MIRAVFFDDLGTLISVEGLRKVHLKIMEEVLGDYPLNPATLLDEYTKLAREAFSNYAGKPYRPLVDILEEVMRKLAEKYGFKYPENLLEISLRMAQRYGELYPEVVEVLKSLKGKYHVGVILNRDTEPATAFLDALGIKDLFDSITTSEEAGFFKPHPRIFELALKKAGVKGEKAVYVGDNPVKDAGGSKNLGMTSILLDRKGEKREFWDKADFIVSDLREVIKIVDELNGQGSLEHHHHHH
Canonical Sequence ...
MIRAVFFDDLGTLISVEGLRKVHLKIMEEVLGDYPLNPATLLDEYTKLAREAFSNYAGKPYRPLVDILEEVMRKLAEKYGFKYPENLLEISLRMAQRYGELYPEVVEVLKSLKGKYHVGVILNRDTEPATAFLDALGIKDLFDSITTSEEAGFFKPHPRIFELALKKAGVKGEKAVYVGDNPVKDAGGSKNLGMTSILLDRKGEKREFWDKADFIVSDLREVIKIVDELNGQGSLEHHHHHH
Non polymer #2
A1JRE
InChI=1S/C6H3BrN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H
InChI=1S/C6H3BrN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H
SMILES: c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])Br
c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])Br
Non polymer #3
EDO
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
SMILES: C(CO)O
C(CO)O
Non polymer #4
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 #5
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 #6
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
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Model
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