BMRB Entry 18629
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PDB ID: 2lwi
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR18629
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Title: Solution structure of H-RasT35S mutant protein in complex with Kobe2601 PubMed: 23630290
Deposition date: 2012-08-01 Original release date: 2013-05-20
Authors: Araki, Mitsugu; Tamura, Atsuo
Citation: Shima, Fumi; Yoshikawa, Yoko; Ye, Min; Araki, Mitsugu; Matsumoto, Shigeyuki; Liao, Jingling; Hu, Lizhi; Sugimoto, Takeshi; Ijiri, Yuichi; Takeda, Azusa; Nishiyama, Yuko; Sato, Chie; Muraoka, Shin; Tamura, Atsuo; Osoda, Tsutomu; Tsuda, Ken-ichiro; Miyakawa, Tomoya; Fukunishi, Hiroaki; Shimada, Jiro; Kumasaka, Takashi; Yamamotog, Masaki; Kataoka, Tohru. "In silico discovery of small-molecule Ras inhibitors that display antitumor activity by blocking the Ras-effector interaction" Proc. Natl. Acad. Sci. U. S. A. 110, 8182-8187 (2013).
Assembly members:
entity_1, polymer, 166 residues, 18861.303 Da.
2-(2,4-dinitrophenyl)-N-(4-fluorophenyl)hydrazinecarbothioamide, non-polymer, 351.313 Da.
PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, non-polymer, 522.196 Da.
MAGNESIUM ION, non-polymer, 24.305 Da.
WATER, water, 18.015 Da.
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity_1: MTEYKLVVVGAGGVGKSALT
IQLIQNHFVDEYDPSIEDSY
RKQVVIDGETCLLDILDTAG
QEEYSAMRDQYMRTGEGFLC
VFAINNTKSFEDIHQYREQI
KRVKDSDDVPMVLVGNKCDL
AARTVESRQAQDLARSYGIP
YIETSAKTRQGVEDAFYTLV
REIRQH
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 77 |
| 1H chemical shifts | 238 |