2025-07-19_00000119
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ligand
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9IT5
p300 KAT domain in complex with KB528;
X-ray diffraction 2.00Å
Protein #1
349 residues (95% resolved)
Raw Sequence ...
MKFSAKRLPSTRLGTFLENRVNDFLRRQNHPESGEVTVRVVHASDKTVEVKPGMKARFVDSGEMAESFPYRTKALFAFEEIDGVDLCFFGMHVQEYGSDCPPPNQRRVYISYLDSVHFFRPKCLRTAVYHEILIGYLEYVKKLGYTTGHIWACPPSEGDDYIFHCHPPDQKIPKPKRLQEWYKKMLDKAVSERIVHDYKDIFKQATEDRLTSAKELPYFEGDFWPNVLEESIKELEQKTSKNKSSLSRGNKKKPGMPNVSNDLSQKLYATMEKHKEVFFVIRLIAGPAANSLPPIVDPDPLIPCDLMDGRDAFLTLARDRHLEFSSLRRAQWSTGCMLVELHTQSQDRF
Canonical Sequence ...
MKFSAKRLPSTRLGTFLENRVNDFLRRQNHPESGEVTVRVVHASDKTVEVKPGMKARFVDSGEMAESFPYRTKALFAFEEIDGVDLCFFGMHVQEYGSDCPPPNQRRVYISYLDSVHFFRPKCLRTAVYHEILIGYLEYVKKLGYTTGHIWACPPSEGDDYIFHCHPPDQKIPKPKRLQEWYKKMLDKAVSERIVHDYKDIFKQATEDRLTSAKELPYFEGDFWPNVLEESIKELEQKTSKNKSSLSRGNKKKPGMPNVSNDLSQKLYATMEKHKEVFFVIRLIAGPAANSLPPIVDPDPLIPCDLMDGRDAFLTLARDRHLEFSSLRRAQWSTGCMLVELHTQSQDRF
Non polymer #2
A1L3B
InChI=1S/C28H28N6O/c1-19(21-10-8-20(13-29)9-11-21)14-31-27(22-6-4-3-5-7-22)26-17-30-25-12-23(15-32-28(25)35-26)24-16-33-34(2)18-24/h3-12,15-16,18-19,26-27,30-31H,14,17H2,1-2H3/t19-,26+,27-/m1/s1
InChI=1S/C28H28N6O/c1-19(21-10-8-20(13-29)9-11-21)14-31-27(22-6-4-3-5-7-22)26-17-30-25-12-23(15-32-28(25)35-26)24-16-33-34(2)18-24/h3-12,15-16,18-19,26-27,30-31H,14,17H2,1-2H3/t19-,26+,27-/m1/s1
SMILES: C[C@H](CN[C@H](c1ccccc1)[C@@H]2CNc3cc(cnc3O2)c4cnn(c4)C)c5ccc(cc5)C#N
C[C@H](CN[C@H](c1ccccc1)[C@@H]2CNc3cc(cnc3O2)c4cnn(c4)C)c5ccc(cc5)C#N
Non polymer #3
CL
InChI=1S/ClH/h1H/p-1
InChI=1S/ClH/h1H/p-1
SMILES: [Cl-]
[Cl-]
Non polymer #4
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
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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