› 4tto

X-ray diffraction
2.3Å resolution

Quasi-racemic structure of [V25A] kalata B1

Released:
DOI: 10.2210/pdb4tto/pdb
PDB entry 4tto coloured by chain, front view.
PDB entry 4tto coloured by chain, side view.
PDB entry 4tto coloured by chain, top view.
Source organisms:
Primary publication:
Racemic and quasi-racemic X-ray structures of cyclic disulfide-rich peptide drug scaffolds.
Wang CK, King GJ, Northfield SE, Ojeda PG, Craik DJ
Angew Chem Int Ed Engl 53 11236-41 (2014)
PMID: 25168664

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-219498 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Kalata-B1 Chain: A
Molecule details ›
Chain: A
Length: 29 amino acids
Theoretical weight: 2.89 KDa
Source organism: Oldenlandia affinis
Expression system: Not provided
UniProt:
  • Canonical: P56254 (Residues: 89-117; Coverage: 28%)
Gene name: OAK1
Sequence domains: Cyclotide family
D-kalata B1 Chain: B
Molecule details ›
Chain: B
Length: 29 amino acids
Theoretical weight: 2.92 KDa
Source organism: synthetic construct
Expression system: Not provided

Ligands and Environments

No bound ligands
10 modified residues:
Ligand DLE 1 x DLE
Ligand DPR 3 x DPR
Ligand DVA 3 x DVA
Ligand DCY 6 x DCY
Ligand DGL 1 x DGL
Ligand DTH 5 x DTH
Ligand DSG 2 x DSG
Ligand DSN 1 x DSN
Ligand DTR 1 x DTR
Ligand DAR 1 x DAR

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU FR-E DW
Unit cell:
a: 22.377Å b: 26.214Å c: 37.234Å
α: 90.99° β: 100.6° γ: 99.13°
R-values:
R R work R free
0.251 0.242 0.327
Expression system: Not provided

Quick links

Citations

8 citation in other articles

X-ray Crystallographic Structure of Oligomers Formed by a Toxic β-Hairpin Derived from α-Synuclein: Trimers and Higher-Order Oligomers.
Salveson et al. (2016)
7 more