› 5m8s

X-ray diffraction
2.2Å resolution

Crystal structure of human tyrosinase related protein 1 mutant (T391V-R374S-Y362F) in complex with phenylthiourea (PTU)

Released:
DOI: 10.2210/pdb5m8s/pdb
PDB entry 5m8s coloured by chain, front view.
PDB entry 5m8s coloured by chain, side view.
PDB entry 5m8s coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Phenylthiourea Binding to Human Tyrosinase-Related Protein 1.
Lai X, Wichers HJ, Soler-Lopez M, Dijkstra BW
Int J Mol Sci 21 (2020)
PMID: 32019241

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-148124 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecules (8 distinct):
5,6-dihydroxyindole-2-carboxylic acid oxidase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 446 amino acids
Theoretical weight: 50.53 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P17643 (Residues: 25-470; Coverage: 87%)
Gene names: CAS2, TYRP, TYRP1, TYRRP
Sequence domains: Common central domain of tyrosinase

Ligands and Environments

Carbohydrate polymer : NEW Components: NAG, FUC
Carbohydrate polymer
Carbohydrate polymer : NEW Components: NAG
Carbohydrate polymer
Carbohydrate polymer : NEW Components: NAG, MAN
Carbohydrate polymer
Carbohydrate polymer : NEW Components: NAG, FUC, MAN
Carbohydrate polymer
Carbohydrate polymer : NEW Components: NAG, FUC
Carbohydrate polymer
Carbohydrate polymer : NEW Components: NAG, FUC, MAN
Carbohydrate polymer
Carbohydrate polymer : NEW Components: NAG, MAN
Carbohydrate polymer
3 bound ligands:
Ligand NAG 4 x NAG
Ligand URS 4 x URS
Ligand ZN 9 x ZN
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE MASSIF-1
Spacegroup: P212121
Unit cell:
a: 90.081Å b: 141.767Å c: 191.73Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.196 0.194 0.235
Expression system: Spodoptera frugiperda

Quick links

Citations

3 review citations

Medicinal Effect, In Silico Bioactivity Prediction, and Pharmaceutical Formulation of Ageratum conyzoides L.: A Review.
Kotta et al. (2020)
2 more

3 mentions without citation

Naturally-Occurring Tyrosinase Inhibitors Classified by Enzyme Kinetics and Copper Chelation.
Kim et al. (2023)
2 more