BMRB Entry 36166

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PDB ID: 5zc6
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR36166
MolProbity Validation Chart

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Title:
Solution structure of H-RasT35S mutant protein in complex with KBFM123
Deposition date:
2018-02-15
Original release date:
2018-12-07
Authors:
Matsumoto, S.; Hayashi, Y.; Hiraga, T.; Matsuo, K.; Kataoka, T.
Citation:

Citation: Matsumoto, S.; Hiraga, T.; Hayashi, Y.; Yoshikawa, Y.; Tsuda, C.; Araki, M.; Neya, M.; Shima, F.; Kataoka, T.. "Molecular Basis for Allosteric Inhibition of GTP-Bound H-Ras Protein by a Small-Molecule Compound Carrying a Naphthalene Ring"  Biochemistry 57, .-. (2018).
PubMed: 30141910

Assembly members:

Assembly members:
GTPase HRas, polymer, 166 residues, 18861.166 Da.
PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, non-polymer, 522.196 Da.
3-oxidanyl-~{N}-[[(2~{S})-oxolan-2-yl]methyl]naphthalene-2-carboxamide, non-polymer, 271.311 Da.
MAGNESIUM ION, non-polymer, 24.305 Da.

Natural source:

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli

Entity Sequences (FASTA):

Entity Sequences (FASTA):
GTPase HRas: MTEYKLVVVGAGGVGKSALT IQLIQNHFVDEYDPSIEDSY RKQVVIDGETCLLDILDTAG QEEYSAMRDQYMRTGEGFLC VFAINNTKSFEDIHQYREQI KRVKDSDDVPMVLVGNKCDL AARTVESRQAQDLARSYGIP YIETSAKTRQGVEDAFYTLV REIRQH

Data sets:
Data typeCount
13C chemical shifts5
1H chemical shifts23

Additional metadata:

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  • Samples and Experiments
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Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11
2entity_GNP2
3entity_KBF3
4entity_MG4

Entities:

Entity 1, entity_1 166 residues - 18861.166 Da.

1   METTHRGLUTYRLYSLEUVALVALVALGLY
2   ALAGLYGLYVALGLYLYSSERALALEUTHR
3   ILEGLNLEUILEGLNASNHISPHEVALASP
4   GLUTYRASPPROSERILEGLUASPSERTYR
5   ARGLYSGLNVALVALILEASPGLYGLUTHR
6   CYSLEULEUASPILELEUASPTHRALAGLY
7   GLNGLUGLUTYRSERALAMETARGASPGLN
8   TYRMETARGTHRGLYGLUGLYPHELEUCYS
9   VALPHEALAILEASNASNTHRLYSSERPHE
10   GLUASPILEHISGLNTYRARGGLUGLNILE
11   LYSARGVALLYSASPSERASPASPVALPRO
12   METVALLEUVALGLYASNLYSCYSASPLEU
13   ALAALAARGTHRVALGLUSERARGGLNALA
14   GLNASPLEUALAARGSERTYRGLYILEPRO
15   TYRILEGLUTHRSERALALYSTHRARGGLN
16   GLYVALGLUASPALAPHETYRTHRLEUVAL
17   ARGGLUILEARGGLNHIS

Entity 2, entity_GNP - C10 H17 N6 O13 P3 - 522.196 Da.

1   GNP

Entity 3, entity_KBF - C16 H17 N O3 - 271.311 Da.

1   KBF

Entity 4, entity_MG - Mg - 24.305 Da.

1   MG