› 6wo2

X-ray diffraction
2Å resolution

Crystal Structure of the Grb2 SH2 Domain in Complex with a Tripeptide: Ac-pY-Ac6c-N-isohexyl

Released:
DOI: 10.2210/pdb6wo2/pdb
Model geometry
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PDB entry 6wo2 coloured by chain, front view.
PDB entry 6wo2 coloured by chain, side view.
PDB entry 6wo2 coloured by chain, top view.
Source organisms:
Primary publication:
Some thermodynamic effects of varying nonpolar surfaces in protein-ligand interactions.
Cramer DL, Cheng B, Tian J, Clements JH, Wypych RM, Martin SF
Eur J Med Chem 208 112771 (2020)
PMID: 32916312

Function and Biology Details

Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-158870 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Growth factor receptor-bound protein 2 Chains: A, B
Molecule details ›
Chains: A, B
Length: 117 amino acids
Theoretical weight: 13.76 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P62993 (Residues: 53-163; Coverage: 51%)
Gene names: ASH, GRB2
Sequence domains: SH2 domain
ACE-PTR-02K-ASN-U67 Chains: C, D
Molecule details ›
Chains: C, D
Length: 5 amino acids
Theoretical weight: 610 Da
Source organism: synthetic construct
Expression system: Not provided

Ligands and Environments

3 bound ligands:
Ligand CA 1 x CA
Ligand IPA 2 x IPA
Ligand NA 1 x NA
2 modified residues:
Ligand PTR 2 x PTR
Ligand 02K 2 x 02K

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: RIGAKU
Spacegroup: P212121
Unit cell:
a: 32.225Å b: 62.72Å c: 90.137Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.204 0.2 0.275
Expression systems:
  • Escherichia coli
  • Not provided

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Citations

2 citation in other articles

Discovery of Rift Valley fever virus natural pan-inhibitors by targeting its multiple key proteins through computational approaches.
Fatima et al. (2022)
1 more

3 mentions without citation

The use of knowledge management tools in viroinformatics. Example study of a highly conserved sequence motif in Nsp3 of SARS-CoV-2 as a therapeutic target.
Robson B. (2020)
2 more

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