2026-04-25_00000349
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ligand
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9ZKG
VRK1 in complex with the inhibitor MP-60;
X-ray diffraction 2.06Å
Protein #1
364 residues (89% resolved)
Raw Sequence ...
SMRVKAAQAGRQSSAKRHLAEQFAVGEIITDMAAAAWKVGLPIGQGGFGCIYLADMNSSESVGSDAPCVVKVEPSDNGPLFTELKFYQRAAKPEQIQKWIRTRKLKYLGVPKYWGSGLHDKNGKSYRFMIMDRFGSDLQKIYEANAKRFSRKTVLQLSLRILDILEYIHEHEYVHGDIKASNLLLNYKNPDQVYLVDYGLAYRYCPEGVHKAYAADPKRCHDGTIEFTSIDAHNGVAPSRRGDLEILGYCMIQWLTGHLPWEDNLKDPKYVRDSKIRYRENIASLMDKCFPAANAPGEIAKYMETVKLLDYTEKPLYENLRDILLQGLKAIGSKDDGKLDLSVVENGGLKAKTITKKRAAEIEE
Canonical Sequence ...
SMRVKAAQAGRQSSAKRHLAEQFAVGEIITDMAAAAWKVGLPIGQGGFGCIYLADMNSSESVGSDAPCVVKVEPSDNGPLFTELKFYQRAAKPEQIQKWIRTRKLKYLGVPKYWGSGLHDKNGKSYRFMIMDRFGSDLQKIYEANAKRFSRKTVLQLSLRILDILEYIHEHEYVHGDIKASNLLLNYKNPDQVYLVDYGLAYRYCPEGVHKAYAADPKRCHDGTIEFTSIDAHNGVAPSRRGDLEILGYCMIQWLTGHLPWEDNLKDPKYVRDSKIRYRENIASLMDKCFPAANAPGEIAKYMETVKLLDYTEKPLYENLRDILLQGLKAIGSKDDGKLDLSVVENGGLKAKTITKKRAAEIEE
Non polymer #2
A1C2O
InChI=1S/C14H13Cl2NO3S/c1-2-3-4-17-13(19)11(21-14(17)20)7-8-5-9(15)12(18)10(16)6-8/h5-7,18H,2-4H2,1H3
InChI=1S/C14H13Cl2NO3S/c1-2-3-4-17-13(19)11(21-14(17)20)7-8-5-9(15)12(18)10(16)6-8/h5-7,18H,2-4H2,1H3
SMILES: CCCCN1C(=O)/C(=C/c2cc(c(c(c2)Cl)O)Cl)/SC1=O
CCCCN1C(=O)/C(=C/c2cc(c(c(c2)Cl)O)Cl)/SC1=O
Non polymer #3
ACN
InChI=1S/C3H6O/c1-3(2)4/h1-2H3
InChI=1S/C3H6O/c1-3(2)4/h1-2H3
SMILES: CC(=O)C
CC(=O)C
Non polymer #4
CL
InChI=1S/ClH/h1H/p-1
InChI=1S/ClH/h1H/p-1
SMILES: [Cl-]
[Cl-]
Non polymer #5
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 #6
GG0
InChI=1S/C4H8N2O3/c5-1-3(7)6-2-4(8)9/h1-2,5H2,(H,6,7)(H,8,9)
InChI=1S/C4H8N2O3/c5-1-3(7)6-2-4(8)9/h1-2,5H2,(H,6,7)(H,8,9)
SMILES: C(C(=O)NCC(=O)O)N
C(C(=O)NCC(=O)O)N
Non polymer #7
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
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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