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Receptor Information

>5cz6 Chain V (length=226) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

TTIVGVKFNNGVVIAADTRSTQGPIVADKNCAKLHRISPKIWCAGAGTAA
DTEAVTQLIGSNIELHSLYTSREPRVVSALQMLKQHLFKYQGHIGAYLIV
AGVDPTGSHLFSIHAHGSTDVGYYLSLGSGSLAAMAVLESHWKQDLTKEE
AIKLASDAIQAGIWNDLGSGSNVDVCVMEIGKDAEYLRNYLTPNVREEKQ
KSYKFPRGTTAVLKESIVNICDIQEE

Ligand ID

SRG

InChI

InChI=1S/C24H39N5O6/c1-13(2)16-10-11-18(30)25-12-8-7-9-17(21(31)26-16)27-22(32)19(14(3)4)28-24(35)29-20(15(5)6)23(33)34/h7,9-11,13-17,19-20H,8,12H2,1-6H3,(H,25,30)(H,26,31)(H,27,32)(H,33,34)(H2,28,29,35)/b9-7+,11-10?/t16-,17+,19+,20+/m1/s1

InChIKey

RUWSLQOIGKYPEZ-XQGFKOBESA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.5.0	CC(C)[C@H]1C=CC(=O)NCC\C=C\[C@@H](C(=O)N1)NC(=O)[C@H](C(C)C)NC(=O)N[C@@H](C(C)C)C(=O)O
CACTVS 3.341	CC(C)[CH]1NC(=O)[CH](NC(=O)[CH](NC(=O)N[CH](C(C)C)C(O)=O)C(C)C)C=CCCNC(=O)C=C1
OpenEye OEToolkits 1.5.0	CC(C)C1C=CC(=O)NCCC=CC(C(=O)N1)NC(=O)C(C(C)C)NC(=O)NC(C(C)C)C(=O)O
ACDLabs 10.04	O=C(O)C(NC(=O)NC(C(=O)NC1C(=O)NC(C=CC(=O)NCCC=C1)C(C)C)C(C)C)C(C)C
CACTVS 3.341	CC(C)[C@@H]\1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)N[C@@H](C(C)C)C(O)=O)C(C)C)/C=C/CCNC(=O)/C=C\1

Formula

C24 H39 N5 O6

Name

(2S)-2-[[(2S)-1-[[(5S,8S,9E)-2,7-dioxo-5-propan-2-yl-1,6-diazacyclododeca-3,9-dien-8-yl]amino]-3-methyl-1-oxo-butan-2-yl]carbamoylamino]-3-methyl-butanoic acid;
Syringolin A

PDB chain

5cz6 Chain V Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	5cz6 A unified mechanism for proteolysis and autocatalytic activation in the 20S proteasome.
Resolution	2.7 Å
Binding residue (original residue number in PDB)	T1 T21 Q22 K33 A46 G47 A49
Binding residue (residue number reindexed from 1)	T1 T21 Q22 K33 A46 G47 A49
Annotation score	1

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.

	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

PDB	RCSB:5cz6, PDBe:5cz6, PDBj:5cz6
PDBsum	5cz6
PubMed	26964885
UniProt	P25043\|PSB2_YEAST Proteasome subunit beta type-2 (Gene Name=PUP1)

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Structure of PDB 5cz6 Chain V Binding Site BS02