2024-11-23_00000064
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ligand
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7HN2
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z1002247062;
X-ray diffraction 1.23Å
Protein #1
188 residues (98% resolved)
Raw Sequence ...
MHHHHHHMVHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGVCRDSVQRKGQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFAGPLRPFFNVGFNYSGGNAAPLKLCPLKM
Canonical Sequence ...
MHHHHHHMVHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGVCRDSVQRKGQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFAGPLRPFFNVGFNYSGGNAAPLKLCPLKM
Non polymer #2
A1BFP
InChI=1S/C9H15N3OS/c1-12-3-4-13-8(7-12)6-11-9-10-2-5-14-9/h2,5,8H,3-4,6-7H2,1H3,(H,10,11)
InChI=1S/C9H15N3OS/c1-12-3-4-13-8(7-12)6-11-9-10-2-5-14-9/h2,5,8H,3-4,6-7H2,1H3,(H,10,11)
SMILES: CN1CCO[C@H](C1)CNc2nccs2
CN1CCO[C@H](C1)CNc2nccs2
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
EPE
InChI=1S/C8H18N2O4S/c11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14/h11H,1-8H2,(H,12,13,14)
InChI=1S/C8H18N2O4S/c11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14/h11H,1-8H2,(H,12,13,14)
SMILES: C1CN(CCN1CCO)CCS(=O)(=O)O
C1CN(CCN1CCO)CCS(=O)(=O)O
Biounit #1
monomer
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Model
Reference
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