BioLiP

Receptor Information

>5l65 Chain Y (length=211) Species: 10090,559292 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

TTTLAFKFQHGVIVAVDSRATAGSYISSLRMNKVIEINPYLLGTMSGCAA
DCQYWERLLAKECRLYYLRNGERISVSAASKLLSNMMLQYRGMGLSMGSM
ICGWDKKGPGLYYVDDNGTRLSGQMFSTGSGNTYAYGVLDSNYKWDLSVE
DALYLGKRSILAAAHRDAYSGGSVNLYHVTEDGWIYHGNHDVGELFWKVK
EEEGSFNNVIG

Ligand ID

3BV

InChI

InChI=1S/C40H61N5O7/c1-27(2)22-33(37(48)29(5)26-46)42-40(51)35(24-31-14-10-7-11-15-31)44-39(50)34(23-28(3)4)43-38(49)32(17-16-30-12-8-6-9-13-30)41-36(47)25-45-18-20-52-21-19-45/h6-15,27-29,32-35,37,46,48H,16-26H2,1-5H3,(H,41,47)(H,42,51)(H,43,49)(H,44,50)/t29-,32+,33+,34+,35+,37+/m1/s1

InChIKey

CNNZTHKANUECTE-JMNVNGPASA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.7.6	C[C@H](CO)[C@@H]([C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCc2ccccc2)NC(=O)CN3CCOCC3)O
OpenEye OEToolkits 1.7.6	CC(C)CC(C(C(C)CO)O)NC(=O)C(Cc1ccccc1)NC(=O)C(CC(C)C)NC(=O)C(CCc2ccccc2)NC(=O)CN3CCOCC3
CACTVS 3.385	CC(C)C[CH](NC(=O)[CH](Cc1ccccc1)NC(=O)[CH](CC(C)C)NC(=O)[CH](CCc2ccccc2)NC(=O)CN3CCOCC3)[CH](O)[CH](C)CO
ACDLabs 12.01	O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(CC(C)C)C(O)C(C)CO)Cc1ccccc1)CC(C)C)CCc2ccccc2)CN3CCOCC3
CACTVS 3.385	CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCc2ccccc2)NC(=O)CN3CCOCC3)[C@@H](O)[C@H](C)CO

Formula

C40 H61 N5 O7

Name

N-{(2S)-2-[(morpholin-4-ylacetyl)amino]-4-phenylbutanoyl}-L-leucyl-N-[(2R,3S,4S)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]-L-phenylalaninamide;
CARFILZOMIB, bound form

PDB chain

5l65 Chain Y 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	5l65 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 T21 K33 S46 G47 A49 S130 Y169
Binding residue (residue number reindexed from 1)	T1 T21 K33 S46 G47 A49 S130 Y169
Annotation score	1

Catalytic site (original residue number in PDB)	T1 D17 R19 K33 G47 S130 D167 S170
Catalytic site (residue number reindexed from 1)	T1 D17 R19 K33 G47 S130 D167 S170
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:5l65, PDBe:5l65, PDBj:5l65
PDBsum	5l65
PubMed	27789522
UniProt	P28063\|PSB8_MOUSE Proteasome subunit beta type-8 (Gene Name=Psmb8); P30656\|PSB5_YEAST Proteasome subunit beta type-5 (Gene Name=PRE2)

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Structure of PDB 5l65 Chain Y Binding Site BS02