2025-08-23_00000273|medium|9QEU

Structure of CHIP E3 ubiquitin ligase TPR domain in complex with compound 1; X-ray diffraction 1.35Å

Protein #1 128 residues (100% resolved)

Raw Sequence ...

SPSAQELKEQGNRLFVGRKYPEAAACYGRAITRNPLVAVYYTNRALCYLKMQQHEQALADCRRALELDGQSVKAHFFLGQCQLEMESYDEAIANLQRAYSLAKEQRLNFGDDIPSALRIAKKKRWNSI

Canonical Sequence ...

SPSAQELKEQGNRLFVGRKYPEAAACYGRAITRNPLVAVYYTNRALCYLKMQQHEQALADCRRALELDGQSVKAHFFLGQCQLEMESYDEAIANLQRAYSLAKEQRLNFGDDIPSALRIAKKKRWNSI

Non polymer #2 A1I6K

InChI=1S/C25H33N5O4/c1-26-22(31)14-20(15-8-4-6-13-21(15)34-2)28-24(32)17-10-7-12-18(17)27-25(33)23-16-9-3-5-11-19(16)29-30-23/h4,6,8,13,17-18,20H,3,5,7,9-12,14H2,1-2H3,(H,26,31)(H,27,33)(H,28,32)(H,29,30)/t17-,18-,20+/m1/s1

InChI=1S/C25H33N5O4/c1-26-22(31)14-20(15-8-4-6-13-21(15)34-2)28-24(32)17-10-7-12-18(17)27-25(33)23-16-9-3-5-11-19(16)29-30-23/h4,6,8,13,17-18,20H,3,5,7,9-12,14H2,1-2H3,(H,26,31)(H,27,33)(H,28,32)(H,29,30)/t17-,18-,20+/m1/s1

SMILES: CNC(=O)C[C@@H](c1ccccc1OC)NC(=O)[C@@H]2CCC[C@H]2NC(=O)c3c4c([nH]n3)CCCC4

CNC(=O)C[C@@H](c1ccccc1OC)NC(=O)[C@@H]2CCC[C@H]2NC(=O)c3c4c([nH]n3)CCCC4

Biounit #1 monomer

Reference