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Structure of PDB 5l55 Chain Y Binding Site BS02

Receptor Information >5l55 Chain Y (length=212) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] TTTLAFRFQGGIIVAVDSRATAGNWVASQTVKKVIEINPFLLGTMAGGAA DCQFWETWLGSQCRLHELREKERISVAAASKILSNLVYQYKGAGLSMGTM ICGYTRKEGPTIYYVDSDGTRLKGDIFCVGSGQTFAYGVLDSNYKWDLSV EDALYLGKRSILAAAHRDAYSGGSVNLYHVTEDGWIYHGNHDVGELFWKV KEEEGSFNNVIG

Ligand information Ligand ID 6NV InChI InChI=1S/C36H43N3O6/c1-22(21-40)33(41)31(18-25-10-6-5-7-11-25)38-36(44)32(19-26-14-16-28(45-4)17-15-26)39-34(42)24(3)37-35(43)30-20-27-12-8-9-13-29(27)23(30)2/h5-7,9-17,20,22,24,31-33,40-41H,8,18-19,21H2,1-4H3,(H,37,43)(H,38,44)(H,39,42)/t22-,24-,31+,32+,33+/m1/s1 InChIKey RLIQDSPMEVUJOV-YRIWBWMDSA-N SMILES Software SMILES CACTVS 3.385 COc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)C2=CC3=CCC=CC3=C2C)C(=O)N[C@@H](Cc4ccccc4)[C@@H](O)[C@H](C)CO)cc1 OpenEye OEToolkits 2.0.5 CC1=C2C=CCC=C2C=C1C(=O)N[C@H](C)C(=O)N[C@@H](Cc3ccc(cc3)OC)C(=O)N[C@@H](Cc4ccccc4)[C@H]([C@H](C)CO)O CACTVS 3.385 COc1ccc(C[CH](NC(=O)[CH](C)NC(=O)C2=CC3=CCC=CC3=C2C)C(=O)N[CH](Cc4ccccc4)[CH](O)[CH](C)CO)cc1 OpenEye OEToolkits 2.0.5 CC1=C2C=CCC=C2C=C1C(=O)NC(C)C(=O)NC(Cc3ccc(cc3)OC)C(=O)NC(Cc4ccccc4)C(C(C)CO)O Formula C36 H43 N3 O6 Name ChEMBL DrugBank ZINC ZINC000584904837 PDB chain 5l55 Chain Y Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure summary [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] PDB 5l55 A humanized yeast proteasome identifies unique binding modes of inhibitors for the immunosubunit beta 5i. Resolution 2.9 Å Binding residue (original residue number in PDB) T1 A20 T21 M45 G47 A49 Y170 Binding residue (residue number reindexed from 1) T1 A20 T21 M45 G47 A49 Y170 Annotation score 1

Enzymatic activity Catalytic site (original residue number in PDB) T1 D17 R19 K33 G47 S131 D168 S171 Catalytic site (residue number reindexed from 1) T1 D17 R19 K33 G47 S131 D168 S171 Enzyme Commision number 3.4.25.1: proteasome endopeptidase complex.

Gene Ontology Molecular Function GO:0004298 threonine-type endopeptidase activity

	Biological Process
GO:0051603	proteolysis involved in protein catabolic process

	Cellular Component
GO:0005839	proteasome core complex

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