2024-07-20_00000280
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ligand
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9CMZ
Crystal Structure of Cdk-related protein kinase 6 (PK6) from Plasmodium falciparum in complex with inhibitor KG2-051;
X-ray diffraction 2.45Å
Protein #1
306 residues (93% resolved)
Raw Sequence ...
GSMNRIDISNFDFLYVIGKGTYGIVYKALDKKENNFVAIKKIINLNDENYGISKRILRELTILQKIKHKNIINLKYVFYGKDIEDKLAGENLENSCLYLAFEYCDIDLFNLIKKHNLNIKEIKYIIFELLLALSYFHSNNYIHRDIKPENIFITSEGEIKLGDLGMSVEKSDHMTPTVVTLWYRAPEILLKSTNYDQKVDIWSLGCLFMELIQGRPLFPGKNDNTQLELIYLLLGDKDALTTVDKERKDMFPYFEINMLKDAIDDEHTLDLISKMLIYDPNYRISSKEALKHPCFQDIEQVKFSYN
Canonical Sequence ...
GSMNRIDISNFDFLYVIGKGTYGIVYKALDKKENNFVAIKKIINLNDENYGISKRILRELTILQKIKHKNIINLKYVFYGKDIEDKLAGENLENSCLYLAFEYCDIDLFNLIKKHNLNIKEIKYIIFELLLALSYFHSNNYIHRDIKPENIFITSEGEIKLGDLGMSVEKSDHMTPTVVTLWYRAPEILLKSTNYDQKVDIWSLGCLFMELIQGRPLFPGKNDNTQLELIYLLLGDKDALTTVDKERKDMFPYFEINMLKDAIDDEHTLDLISKMLIYDPNYRISSKEALKHPCFQDIEQVKFSYN
Non polymer #2
A1AZE
InChI=1S/C24H25Cl2N5OS/c25-19-15-27-24(29-22(19)20-7-8-21(26)33-20)28-17-5-3-16(4-6-17)23(32)31-13-9-18(10-14-31)30-11-1-2-12-30/h3-8,15,18H,1-2,9-14H2,(H,27,28,29)
InChI=1S/C24H25Cl2N5OS/c25-19-15-27-24(29-22(19)20-7-8-21(26)33-20)28-17-5-3-16(4-6-17)23(32)31-13-9-18(10-14-31)30-11-1-2-12-30/h3-8,15,18H,1-2,9-14H2,(H,27,28,29)
SMILES: c1cc(ccc1C(=O)N2CCC(CC2)N3CCCC3)Nc4ncc(c(n4)c5ccc(s5)Cl)Cl
c1cc(ccc1C(=O)N2CCC(CC2)N3CCCC3)Nc4ncc(c(n4)c5ccc(s5)Cl)Cl
Non polymer #3
CL
InChI=1S/ClH/h1H/p-1
InChI=1S/ClH/h1H/p-1
SMILES: [Cl-]
[Cl-]
Biounit #1
homo-dimer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
100%