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Crystal structure of the escherichia COLI ycei protein, structural genomics

Analyse Crystal structure of the escherichia COLI ycei protein, structural genomics in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1Y0G
Type
protein
Length
676 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protein ycei
UniProt
P0A8X2
Ligands
8PP
Pockets
9 · best druggability 0.85

Structure

x-ray diffraction · 1 distinct chain · 12% helix, 57% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, DProtein yceiprotein16912% helix, 57% strandP0A8X2

Ligands and binding sites

  • 8PP · 2-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]phenol · ligand · 4 copies · chains A, B, C, D

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14350.850.91548PP
24610.840.90568PP
34630.830.90598PP
44620.820.89598PP
53000.700.8456empty

Interfaces

3 interfaces between chains.

  • C–D · 1544 Ų buried · 40 hydrogen bonds · protein-protein
  • A–B · 1542 Ų buried · 37 hydrogen bonds · protein-protein
  • A–C · 323 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

  • 1Y0G · Crystal structure of the escherichia COLI ycei protein, structural genomics · the same entry in another collection · chain A against A, TM-score 1.00
  • P0A8X2 · AlphaFold monomer V2.0 prediction for protein ycei (P0A8X2) · a predicted model of the same protein · chain A against A, TM-score 0.99

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