2026-04-04_00000067
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ligand
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29MO
Crystal structure of human CLK3 in complex with AZ176;
X-ray diffraction 2.10Å
Protein #1
360 residues (96% resolved)
Raw Sequence ...
SMQSSKRSSRSVEDDKEGHLVCRIGDWLQERYEIVGNLGEGTFGKVVECLDHARGKSQVALKIIRNVGKYREAARLEINVLKKIKEKDKENKFLCVLMSDWFNFHGHMCIAFELLGKNTFEFLKENNFQPYPLPHVRHMAYQLCHALRFLHENQLTHTDLKPENILFVNSEFETLYNEHKSCEEKSVKNTSIRVADFGSATFDHEHHTTIVATRHYRPPEVILELGWAQPCDVWSIGCILFEYYRGFTLFQTHENREHLVMMEKILGPIPSHMIHRTRKQKYFYKGGLVWDENSSDGRYVKENCKPLKSYMLQDSLEHVQLFDLMRRMLEFDPAQRITLAEALLHPFFAGLTPEERSFHT
Canonical Sequence ...
SMQSSKRSSRSVEDDKEGHLVCRIGDWLQERYEIVGNLGEGTFGKVVECLDHARGKSQVALKIIRNVGKYREAARLEINVLKKIKEKDKENKFLCVLMSDWFNFHGHMCIAFELLGKNTFEFLKENNFQPYPLPHVRHMAYQLCHALRFLHENQLTHTDLKPENILFVNSEFETLYNEHKSCEEKSVKNTSIRVADFGSATFDHEHHTTIVATRHYRPPEVILELGWAQPCDVWSIGCILFEYYRGFTLFQTHENREHLVMMEKILGPIPSHMIHRTRKQKYFYKGGLVWDENSSDGRYVKENCKPLKSYMLQDSLEHVQLFDLMRRMLEFDPAQRITLAEALLHPFFAGLTPEERSFHT
Non polymer #2
A1J3A
InChI=1S/C30H37N5O6/c1-34-6-8-35(9-7-34)10-11-37-12-15-40-28-19-25-23-18-27(28)39-16-13-38-14-17-41-30-24(4-3-5-26(30)36-2)33-29(23)22(20-31)21-32-25/h3-5,18-19,21,33H,6-17H2,1-2H3
InChI=1S/C30H37N5O6/c1-34-6-8-35(9-7-34)10-11-37-12-15-40-28-19-25-23-18-27(28)39-16-13-38-14-17-41-30-24(4-3-5-26(30)36-2)33-29(23)22(20-31)21-32-25/h3-5,18-19,21,33H,6-17H2,1-2H3
SMILES: CN1CCN(CC1)CCOCCOc2cc3c4cc2OCCOCCOc5c(cccc5OC)Nc4c(cn3)C#N
CN1CCN(CC1)CCOCCOc2cc3c4cc2OCCOCCOc5c(cccc5OC)Nc4c(cn3)C#N
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
IOD
InChI=1S/HI/h1H/p-1
InChI=1S/HI/h1H/p-1
SMILES: [I-]
[I-]
Biounit #1
monomer
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Model
Reference
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