› 5i1p

X-ray diffraction
1.4Å resolution

Villin headpiece subdomain with a Lys30 to beta-3-homolysine substitution

Released:
DOI: 10.2210/pdb5i1p/pdb
PDB entry 5i1p coloured by chain, front view.
PDB entry 5i1p coloured by chain, side view.
PDB entry 5i1p coloured by chain, top view.
Source organisms:
Primary publication:
Effects of Single α-to-β Residue Replacements on Structure and Stability in a Small Protein: Insights from Quasiracemic Crystallization.
Kreitler DF, Mortenson DE, Forest KT, Gellman SH
J Am Chem Soc 138 6498-505 (2016)
PMID: 27171550

Function and Biology Details

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

Structure analysis Details

Assembly composition:
hetero octamer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-135983 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Villin-1 Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 35 amino acids
Theoretical weight: 4.1 KDa
Source organism: Gallus gallus
Expression system: Not provided
UniProt:
  • Canonical: P02640 (Residues: 792-826; Coverage: 4%)
Gene names: VIL, VIL1
Sequence domains: Villin headpiece domain
D-Villin headpiece subdomain Chains: E, F, G, H
Molecule details ›
Chains: E, F, G, H
Length: 35 amino acids
Theoretical weight: 4.08 KDa
Source organism: synthetic construct
Expression system: Not provided

Ligands and Environments

1 bound ligand:
Ligand EOH 3 x EOH
17 modified residues:
Ligand B3K 4 x B3K
Ligand DLE 20 x DLE
Ligand DSN 8 x DSN
Ligand DAS 8 x DAS
Ligand DGL 8 x DGL
Ligand DPN 16 x DPN
Ligand DLY 20 x DLY
Ligand DAL 12 x DAL
Ligand DVA 4 x DVA
Ligand MED 4 x MED
Ligand DTH 4 x DTH
Ligand DAR 4 x DAR
Ligand DSG 4 x DSG
Ligand DPR 4 x DPR
Ligand DTR 4 x DTR
Ligand DGN 8 x DGN
Ligand DHI 4 x DHI

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-F
Spacegroup: P1
Unit cell:
a: 24.57Å b: 40.6Å c: 59.02Å
α: 96.45° β: 90.66° γ: 95.37°
R-values:
R R work R free
0.21 0.21 0.235
Expression system: Not provided

Quick links

Citations

3 review citations

Novel protein science enabled by total chemical synthesis.
Kent SBH. (2019)
2 more