2024-09-21_00000208
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ligand
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9EOY
Structure of Thr354Asn, Glu355Gln, Thr412Asn, Ile414Met, Ile464His, and Phe467Met mutant human CaMKII alpha hub bound to PIPA;
X-ray diffraction 2.10Å
Protein #1
135 residues (99% resolved)
Raw Sequence ...
GPHMVRKQEIIKVNQQLIEAISNGDFESYTKMCDPGMTAFEPEALGNLVEGLDFHRFYFENLWSRNSKPVHNTMLNPHIHLMGDESACIAYIRITQYLDAGGIPRTAQSEETRVWHRRDGKWQHVHMHRSGAPSV
Canonical Sequence ...
GPHMVRKQEIIKVNQQLIEAISNGDFESYTKMCDPGMTAFEPEALGNLVEGLDFHRFYFENLWSRNSKPVHNTMLNPHIHLMGDESACIAYIRITQYLDAGGIPRTAQSEETRVWHRRDGKWQHVHMHRSGAPSV
Non polymer #2
A1H6K
InChI=1S/C14H10ClN3O2/c15-10-3-1-9(2-4-10)12-5-6-13-16-11(7-14(19)20)8-18(13)17-12/h1-6,8H,7H2,(H,19,20)
InChI=1S/C14H10ClN3O2/c15-10-3-1-9(2-4-10)12-5-6-13-16-11(7-14(19)20)8-18(13)17-12/h1-6,8H,7H2,(H,19,20)
SMILES: c1cc(ccc1c2ccc3nc(cn3n2)CC(=O)O)Cl
c1cc(ccc1c2ccc3nc(cn3n2)CC(=O)O)Cl
Non polymer #3
ACT
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
SMILES: CC(=O)[O-]
CC(=O)[O-]
Non polymer #4
PG4
InChI=1S/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2
InChI=1S/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2
SMILES: C(COCCOCCOCCO)O
C(COCCOCCOCCO)O
Biounit #1
homo-14-mer
Download coordinates
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Model
Reference
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