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Receptor Information

>4r67 Chain V (length=202) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

TTIMAVQFDGGVVLGADSRTTTGSYIANRVTDKLTPIHDRIFCCRSGSAA
DTQAVADAVTYQLGFHSIELNEPPLVHTAASLFKEMCYRYREDLMAGIII
AGWDPQEGGQVYSVPMGGMMVRQSFAIGGSGSSYIYGYVDATYREGMTKE
ECLQFTANALALAMERDGSSGGVIRLAAIAESGVERQVLLGDQIPKFAVA
TL

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

4r67 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	4r67 Crystal Structure of the Human 20S Proteasome in Complex with Carfilzomib.
Resolution	2.89 Å
Binding residue (original residue number in PDB)	T1 T20 T21 T22 G47 A49 M95 S169
Binding residue (residue number reindexed from 1)	T1 T20 T21 T22 G47 A49 M95 S169
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:4r67, PDBe:4r67, PDBj:4r67
PDBsum	4r67
PubMed	25599644
UniProt	P28072\|PSB6_HUMAN Proteasome subunit beta type-6 (Gene Name=PSMB6)

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Structure of PDB 4r67 Chain V Binding Site BS01