2024-11-02_00000390
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ligand
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9JQI
Crystal structure of calmodulin in complex with KN93 (1:1 complex);
X-ray diffraction 2.10Å
Protein #1
155 residues (93% resolved)
Raw Sequence ...
GPH(MSE)ADQLTEEQIAEFKEAFSLFDKDGDGTITTKELGTV(MSE)RSLGQNPTEAELQD(MSE)INEVDADGNGTIDFPEFLT(MSE)(MSE)ARK(MSE)KDTDSEEEIREAFRVFDKDGNGYISAAELRHV(MSE)TNLGEKLTDEEVDE(MSE)IREADIDGDGQVNYEEFVQ(MSE)(MSE)TAKNGL
Canonical Sequence ...
GPHMADQLTEEQIAEFKEAFSLFDKDGDGTITTKELGTVMRSLGQNPTEAELQDMINEVDADGNGTIDFPEFLTMMARKMKDTDSEEEIREAFRVFDKDGNGYISAAELRHVMTNLGEKLTDEEVDEMIREADIDGDGQVNYEEFVQMMTAKNGL
Non polymer #2
CA
InChI=1S/Ca/q+2
InChI=1S/Ca/q+2
SMILES: [Ca+2]
[Ca+2]
Non polymer #3
KN9
InChI=1S/C26H29ClN2O4S/c1-28(17-5-6-21-9-11-23(27)12-10-21)20-22-7-3-4-8-26(22)29(18-19-30)34(31,32)25-15-13-24(33-2)14-16-25/h3-16,30H,17-20H2,1-2H3/b6-5+
InChI=1S/C26H29ClN2O4S/c1-28(17-5-6-21-9-11-23(27)12-10-21)20-22-7-3-4-8-26(22)29(18-19-30)34(31,32)25-15-13-24(33-2)14-16-25/h3-16,30H,17-20H2,1-2H3/b6-5+
SMILES: CN(C/C=C/c1ccc(cc1)Cl)Cc2ccccc2N(CCO)S(=O)(=O)c3ccc(cc3)OC
CN(C/C=C/c1ccc(cc1)Cl)Cc2ccccc2N(CCO)S(=O)(=O)c3ccc(cc3)OC
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
Biounit #3
monomer
Download coordinates
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Model
Reference
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