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Crystal structure of human SHOC2: a leucine-rich repeat protein

Analyse Crystal structure of human SHOC2: a leucine-rich repeat protein in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7T7A
Type
protein
Length
986 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Leucine-rich repeat protein shoc-2
UniProt
Q9UQ13
Ligands
MG, NO3
Pockets
6 · best druggability 0.76

Structure

x-ray diffraction · 2 distinct chains · 23% helix, 12% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ALeucine-rich repeat protein shoc-2protein49422% helix, 12% strandQ9UQ13
BLeucine-rich repeat protein shoc-2protein49223% helix, 12% strandQ9UQ13

Ligands and binding sites

  • MG · Magnesium ion · metal · chains A, B
  • NO3 · Nitrate ion · ion · chains A, B

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

Pockets

6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11040.760.9624MG
23800.610.7739NO3
32380.450.7226empty
41640.430.7424empty
51010.350.7419empty

Interfaces

1 interface between chains.

  • A–B · 1222 Ų buried · 22 hydrogen bonds · protein-protein

Compared structures

  • 7T7A · Crystal Structure of Human SHOC2: A Leucine-Rich Repeat Protein · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9UQ13 · AlphaFold monomer V2.0 prediction for leucine-rich repeat protein shoc-2 (Q9UQ13) · a predicted model of the same protein · chain B against A, TM-score 0.99

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