› 3tjw

X-ray diffraction
1.46Å resolution

Crystal Structure of Quasiracemic Villin Headpiece Subdomain Containing (F5Phe10) Substitution

Released:
DOI: 10.2210/pdb3tjw/pdb
PDB entry 3tjw coloured by chain, front view.
PDB entry 3tjw coloured by chain, side view.
PDB entry 3tjw coloured by chain, top view.
Source organism: Gallus gallus
Primary publication:
Quasiracemic crystallization as a tool to assess the accommodation of noncanonical residues in nativelike protein conformations.
Mortenson DE, Satyshur KA, Guzei IA, Forest KT, Gellman SH
J Am Chem Soc 134 2473-6 (2012)
PMID: 22280019

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-135979 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Villin-1 Chain: B
Molecule details ›
Chain: B
Length: 34 amino acids
Theoretical weight: 4.03 KDa
Source organism: Gallus gallus
Expression system: Not provided
UniProt:
  • Canonical: P02640 (Residues: 792-825; Coverage: 4%)
Gene names: VIL, VIL1
Sequence domains: Villin headpiece domain
Villin-1 Chain: A
Molecule details ›
Chain: A
Length: 34 amino acids
Theoretical weight: 3.94 KDa
Source organism: Gallus gallus
Expression system: Not provided
UniProt:
  • Canonical: P02640 (Residues: 792-825; Coverage: 4%)
Gene names: VIL, VIL1
Sequence domains: Villin headpiece domain

Ligands and Environments

1 bound ligand:
Ligand SO4 3 x SO4
17 modified residues:
Ligand DLE 5 x DLE
Ligand DSN 2 x DSN
Ligand DAS 2 x DAS
Ligand DGL 2 x DGL
Ligand DPN 3 x DPN
Ligand DLY 5 x DLY
Ligand DAL 3 x DAL
Ligand DVA 1 x DVA
Ligand MED 1 x MED
Ligand DTH 1 x DTH
Ligand DAR 1 x DAR
Ligand DSG 1 x DSG
Ligand DPR 1 x DPR
Ligand DTR 1 x DTR
Ligand DGN 2 x DGN
Ligand DHI 1 x DHI
Ligand PF5 1 x PF5

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-F
Spacegroup: F222
Unit cell:
a: 38.656Å b: 88.112Å c: 88.663Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.152 0.15 0.19
Expression system: Not provided

Quick links

Citations

19 citation in other articles

Chemical synthesis and X-ray structure of a heterochiral {D-protein antagonist plus vascular endothelial growth factor} protein complex by racemic crystallography.
Mandal et al. (2012)
18 more

1 mention without citation

Quasiracemic crystallization as a tool to assess the accommodation of noncanonical residues in nativelike protein conformations.
Mortenson et al. (2012)