Brand  (β version)

PDB ID: 5NVZ

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Ligands
Code Name Style Show Link
9BN (2~{S},4~{R})-1-[(2~{S})-2-[(1-ethanoylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide PoSSuM
Non-standard Residues
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CAS S-(dimethylarsenic)cysteine
Glycosylation
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Modification
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Structure summary

Code : 5NVZ   PDBj   RCSB PDB   PDBe
Header : LIGASE
Title : pVHL:EloB:EloC in complex with (2S,4R)-1-((S)-2-(1-acetylcyclopropanecarboxamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 16)
Release Data : 2017-09-20
Compound :
mol_id molecule chains synonym
1 Elongin-B A,D,G,J EloB,Elongin 18 kDa subunit,RNA polymerase II transcription factor SIII subunit B,SIII p18,Transcription elongation factor B polypeptide 2
mol_id molecule chains synonym
2 Elongin-C B,E,H,K EloC,Elongin 15 kDa subunit,RNA polymerase II transcription factor SIII subunit C,SIII p15,Transcription elongation factor B polypeptide 1
mol_id molecule chains synonym
3 Von Hippel-Lindau disease tumor suppressor C,F,I,L Protein G7,pVHL
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:469008)
gene: ELOB, TCEB2
expression_system_strain: BL21(DE3)
expression_system_vector_type: plasmid
expression_system_plasmid: pCDFDuet-1
mol_id organism_scientific organism_common expression_system
2 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:469008)
gene: ELOC, TCEB1
expression_system_strain: BL21(DE3)
expression_system_vector_type: plasmid
expression_system_plasmid: pCDFDuet-1
mol_id organism_scientific organism_common expression_system
3 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:469008)
gene: VHL
expression_system_strain: BL21(DE3)
expression_system_vector_type: plasmid
expression_system_plasmid: pHAT4
Authors : Gadd, M.S., Soares, P., Ciulli, A.
Keywords : protein complex, ubiquitin ligase, hypoxia inducible factor, Ligase
Exp. method : X-RAY DIFFRACTION ( 2.7000 Å )
Citation :

Group-Based Optimization of Potent and Cell-Active Inhibitors of the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase: Structure-Activity Relationships Leading to the Chemical Probe (2S,4R)-1-((S)-2-(1-Cyanocyclopropanecarboxamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (VH298).

Soares, P.,Gadd, M.S.,Frost, J.  et al.
(2018)  J. Med. Chem.  61 : 599 - 618

PubMed: 28853884
DOI: 10.1021/acs.jmedchem.7b00675

Reaction

Chain : A, D, G, J
UniProt : Q15370 (ELOB_HUMAN)
Reaction : -
Chain : B, E, H, K
UniProt : Q15369 (ELOC_HUMAN)
Reaction : -
Chain : C, F, I, L
UniProt : P40337 (VHL_HUMAN)
Reaction : -