Structure of PDB 4r00 Chain K Binding Site BS01

Receptor Information
>4r00 Chain K (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
DFQFWETWLGSQCRLHELREKERISVAAASKILSNLVYQYKGAGLSMGTM
ICGYTRKEGPTIYYVDSDGTRLKGDIFCVGSGQTFAYGVLDSNYKWDLSV
EDALYLGKRSILAAAHRDAYSGGSVNLYHVTEDGWIYHGNHDVGELFWKV
KEEEGSFNNVIG
Ligand information
Ligand IDSLA
InChIInChI=1S/C10H17NO4/c1-5(2)7(13)10(4-12)8(14)6(3)9(15)11-10/h4-8,13-14H,1-3H3,(H,11,15)/t6-,7+,8+,10-/m1/s1
InChIKeyNREVXJAQSWMFJZ-CHIQAWFVSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C[C@@H]1[C@@H]([C@@](NC1=O)(C=O)[C@H](C(C)C)O)O
CACTVS 3.385CC(C)[C@H](O)[C@]1(NC(=O)[C@H](C)[C@@H]1O)C=O
OpenEye OEToolkits 1.7.6CC1C(C(NC1=O)(C=O)C(C(C)C)O)O
CACTVS 3.385CC(C)[CH](O)[C]1(NC(=O)[CH](C)[CH]1O)C=O
ACDLabs 12.01O=CC1(NC(=O)C(C1O)C)C(O)C(C)C
FormulaC10 H17 N O4
NameOmuralide, open form;
(2R,3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxopyrrolidine-2-carbaldehyde
ChEMBL
DrugBank
ZINCZINC000098209411
PDB chain4r00 Chain K Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4r00 Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		T1 A20 M45 G47
Binding residue
(residue number reindexed from 1)		T1 A20 M45 G47
Annotation score1
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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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4r00, PDBe:4r00, PDBj:4r00
PDBsum4r00
PubMed25599643
UniProtP30656|PSB5_YEAST Proteasome subunit beta type-5 (Gene Name=PRE2)

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