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Structure of PDB 3gpt Chain N Binding Site BS01

Receptor Information >3gpt Chain N (length=196) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] TSIMAVTFKDGVILGADSRTTTGAYIANRVTDKLTRVHDKIWCCRSGSAA DTQAIADIVQYHLELYTSQYGTPSTETAASVFKELCYENKDNLTAGIIVA GYDDKNKGEVYTIPLGGSVHKLPYAIAGSGSTFIYGYCDKNFRENMSKEE TVDFIKHSLSQAIKWDGSSGGVIRMVVLTAAGVERLIFYPDEYEQL

Ligand information Ligand ID GPT InChI InChI=1S/C15H22FNO4/c1-14(21)11(7-8-16)13(20)17-15(14,9-18)12(19)10-5-3-2-4-6-10/h3,5,9-12,19,21H,2,4,6-8H2,1H3,(H,17,20)/t10-,11+,12+,14+,15-/m1/s1 InChIKey XVSPEIROBXUXKM-FUQNVFFISA-N SMILES Software SMILES OpenEye OEToolkits 1.5.0 C[C@@]1([C@H](C(=O)N[C@]1(C=O)[C@H]([C@H]2CCCC=C2)O)CCF)O CACTVS 3.341 C[C@]1(O)[C@@H](CCF)C(=O)N[C@]1(C=O)[C@@H](O)[C@H]2CCCC=C2 ACDLabs 10.04 O=CC1(NC(=O)C(C1(O)C)CCF)C(O)C2C=CCCC2 CACTVS 3.341 C[C]1(O)[CH](CCF)C(=O)N[C]1(C=O)[CH](O)[CH]2CCCC=C2 OpenEye OEToolkits 1.5.0 CC1(C(C(=O)NC1(C=O)C(C2CCCC=C2)O)CCF)O Formula C15 H22 F N O4 Name (2R,3S,4R)-2-[(S)-(1S)-cyclohex-2-en-1-yl(hydroxy)methyl]-4-(2-fluoroethyl)-3-hydroxy-3-methyl-5-oxopyrrolidine-2-carbaldehyde ChEMBL DrugBank ZINC ZINC000058650491 PDB chain 3gpt Chain N Residue 224 [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 3gpt Snapshots of the fluorosalinosporamide/20S complex offer mechanistic insights for fine tuning proteasome inhibition Resolution 2.41 Å Binding residue (original residue number in PDB) T1 R19 T20 T21 R45 S46 G47 S168 Binding residue (residue number reindexed from 1) T1 R19 T20 T21 R45 S46 G47 S168 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 S129 D166 S169 Enzyme Commision number 3.4.25.1: proteasome endopeptidase complex.

Gene Ontology Molecular Function GO:0004175 endopeptidase activity GO:0004298 threonine-type endopeptidase activity GO:0005515 protein binding

	Biological Process
GO:0006508	proteolysis
GO:0010499	proteasomal ubiquitin-independent protein catabolic process
GO:0043161	proteasome-mediated ubiquitin-dependent protein catabolic process
GO:0051603	proteolysis involved in protein catabolic process

	Cellular Component
GO:0000502	proteasome complex
GO:0005634	nucleus
GO:0005737	cytoplasm
GO:0005829	cytosol
GO:0005839	proteasome core complex
GO:0019774	proteasome core complex, beta-subunit complex
GO:0034515	proteasome storage granule

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