2026-03-07_00000229
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ligand
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9S9L
Crystal structure of p53 cancer mutant Y220C in complex with rezatapopt precursor;
X-ray diffraction 1.38Å
Protein #1
219 residues (91% resolved)
Raw Sequence ...
SSSVPSQKTYQGSYGFRLGFLHSGTAKSVTCTYSPALNKLFCQLAKTCPVQLWVDSTPPPGTRVRAMAIYKQSQHMTEVVRRCPHHERCSDSDGLAPPQHLIRVEGNLRAEYLDDRNTFRHSVVVPCEPPEVGSDCTTIHYNYMCYSSCMGGMNRRPILTIITLEDSSGNLLGRDSFEVRVCACPGRDRRTEEENLRKKGEPHHELPPGSTKRALPNNT
Canonical Sequence ...
SSSVPSQKTYQGSYGFRLGFLHSGTAKSVTCTYSPALNKLFCQLAKTCPVQLWVDSTPPPGTRVRAMAIYKQSQHMTEVVRRCPHHERCSDSDGLAPPQHLIRVEGNLRAEYLDDRNTFRHSVVVPCEPPEVGSDCTTIHYNYMCYSSCMGGMNRRPILTIITLEDSSGNLLGRDSFEVRVCACPGRDRRTEEENLRKKGEPHHELPPGSTKRALPNNT
Non polymer #2
A1JMS
InChI=1S/C21H23N3/c1-3-24-20(10-7-13-23-19-8-5-4-6-9-19)15-18-14-17(16-22-2)11-12-21(18)24/h4-6,8-9,11-12,14-15,22-23H,3,13,16H2,1-2H3
InChI=1S/C21H23N3/c1-3-24-20(10-7-13-23-19-8-5-4-6-9-19)15-18-14-17(16-22-2)11-12-21(18)24/h4-6,8-9,11-12,14-15,22-23H,3,13,16H2,1-2H3
SMILES: CCn1c2ccc(cc2cc1C#CCNc3ccccc3)CNC
CCn1c2ccc(cc2cc1C#CCNc3ccccc3)CNC
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
ZN
InChI=1S/Zn/q+2
InChI=1S/Zn/q+2
SMILES: [Zn+2]
[Zn+2]
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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