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Structure of PDB 3dy3 Chain K Binding Site BS01

Receptor Information >3dy3 Chain K (length=212) Species: 4932 (Saccharomyces cerevisiae) [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 SLR InChI InChI=1S/C10H17NO5/c1-4(2)6(12)10(9(15)16)7(13)5(3)8(14)11-10/h4-7,12-13H,1-3H3,(H,11,14)(H,15,16)/t5-,6+,7-,10-/m1/s1 InChIKey USVJHCXEVSVUEZ-JTGULSINSA-N SMILES Software SMILES OpenEye OEToolkits 1.5.0 C[C@@H]1[C@H]([C@](NC1=O)([C@H](C(C)C)O)C(=O)O)O CACTVS 3.341 CC(C)[C@H](O)[C@]1(NC(=O)[C@H](C)[C@H]1O)C(O)=O ACDLabs 10.04 O=C1NC(C(=O)O)(C(O)C1C)C(O)C(C)C OpenEye OEToolkits 1.5.0 CC1C(C(NC1=O)(C(C(C)C)O)C(=O)O)O CACTVS 3.341 CC(C)[CH](O)[C]1(NC(=O)[CH](C)[CH]1O)C(O)=O Formula C10 H17 N O5 Name (3R,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxo-D-proline ChEMBL DrugBank ZINC ZINC000058638563 PDB chain 3dy3 Chain K 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 3dy3 Structural analysis of spiro beta-lactone proteasome inhibitors. Resolution 2.81 Å Binding residue (original residue number in PDB) T1 A20 T21 M45 G47 Binding residue (residue number reindexed from 1) T1 A20 T21 M45 G47 Annotation score 1

Enzymatic activity Catalytic site (original residue number in PDB) T1 D17 R19 K33 G47 S129 D166 S169 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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