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Crystal structure of human tyrosinase related protein 1 in complex with tyrosine

Analyse Crystal structure of human tyrosinase related protein 1 in complex with tyrosine in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5M8P
Type
protein
Length
1,784 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
5,6-dihydroxyindole-2-carboxylic acid oxidase
EC
1.14.18.-
UniProt
P17643
Ligands
TYR, NAG, MAN, FUC, ZN
Pockets
20 · best druggability 0.79

Structure

x-ray diffraction · 1 distinct chain · 29% helix, 12% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D5,6-dihydroxyindole-2-carboxylic acid oxidase (EC 1.14.18.-)protein44629% helix, 12% strandP17643

Ligands and binding sites

  • TYR · Tyrosine · ligand · 4 copies · chains A, B, C, D
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 40 copies · chains A, D, B, C
  • MAN · alpha-D-mannopyranose · sugar · 10 copies · chains B, A, C
  • FUC · alpha-L-fucopyranose · sugar · 8 copies · chains A, B, C, D
  • ZN · Zinc ion · metal · 9 copies · chains A, B, C, D

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

20 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18860.790.8184empty
29300.780.8084empty
36880.750.8168empty
49200.750.7889NAG
56990.640.7458NAG

Interfaces

6 interfaces between chains.

  • A–B · 459 Ų buried · 8 hydrogen bonds · protein-protein
  • B–D · 377 Ų buried · 6 hydrogen bonds · protein-protein
  • A–C · 323 Ų buried · 3 hydrogen bonds · protein-protein
  • B–C · 257 Ų buried · 2 hydrogen bonds · protein-protein
  • A–D · 240 Ų buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 28 disulfide, 23 glycan (disulfide, N-glycosylation, glycosylation).

Compared structures

  • 5M8P · Crystal structure of human tyrosinase related protein 1 in complex with tyrosine · the same entry in another collection · chain A against A, TM-score 1.00
  • P17643 · AlphaFold monomer V2.0 prediction for 5,6-dihydroxyindole-2-carboxylic acid oxidase… · a predicted model of the same protein · chain A against A, TM-score 1.00

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