2026-08-29_00000144
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ligand
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8RPN
hJAK3 in complex with LAW931 inhibitor;
X-ray diffraction 2.72Å
Protein #1
298 residues (88% resolved)
Raw Sequence ...
PTIFEERHLKYISQLGKGNFGSVELCRYDPLGDNTGALVAVKQLQHSGPDQQRDFQREIQILKALHSDFIVKYRGVSYGPGRQSLRLVMEYLPSGCLRDFLQRHRARLDASRLLLYSSQICKGMEYLGSRRCVHRDLAARNILVESEAHVKIADFGLAKLLPLDKD(PTR)(PTR)VVREPGQSPIFWYAPESLSDNIFSRQSDVWSFGVVLYELFTYCDKSCSPSAEFLRMMGCERDVPALSRLLELLEEGQRLPAPPACPAEVHELMKLCWAPSPQDRPSFSALGPQLDMLWSGSRGCETHAFT
Canonical Sequence ...
PTIFEERHLKYISQLGKGNFGSVELCRYDPLGDNTGALVAVKQLQHSGPDQQRDFQREIQILKALHSDFIVKYRGVSYGPGRQSLRLVMEYLPSGCLRDFLQRHRARLDASRLLLYSSQICKGMEYLGSRRCVHRDLAARNILVESEAHVKIADFGLAKLLPLDKDYYVVREPGQSPIFWYAPESLSDNIFSRQSDVWSFGVVLYELFTYCDKSCSPSAEFLRMMGCERDVPALSRLLELLEEGQRLPAPPACPAEVHELMKLCWAPSPQDRPSFSALGPQLDMLWSGSRGCETHAFT
Non polymer #2
A1H2B
InChI=1S/C20H18N8O/c21-7-5-19(29)27-9-1-2-15(13-27)25-17-6-8-23-20(26-17)16-11-24-18-4-3-14(10-22)12-28(16)18/h3-4,6,8,11-12,15H,1-2,5,9,13H2,(H,23,25,26)/t15-/m1/s1
InChI=1S/C20H18N8O/c21-7-5-19(29)27-9-1-2-15(13-27)25-17-6-8-23-20(26-17)16-11-24-18-4-3-14(10-22)12-28(16)18/h3-4,6,8,11-12,15H,1-2,5,9,13H2,(H,23,25,26)/t15-/m1/s1
SMILES: c1cc2ncc(n2cc1C#N)c3nccc(n3)N[C@@H]4CCCN(C4)C(=O)CC#N
c1cc2ncc(n2cc1C#N)c3nccc(n3)N[C@@H]4CCCN(C4)C(=O)CC#N
Biounit #1
monomer
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Biounit #2
monomer
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Biounit #3
monomer
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Biounit #4
monomer
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Model
Reference
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