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High resolution crystal structure of MRECK(CC4) in fusion with engineered mbp

Analyse High resolution crystal structure of MRECK(CC4) in fusion with engineered mbp in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6WBJ
Type
protein
Length
432 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Maltodextrin-binding PROTEIN,REVERSION-inducing cysteine- rich protein with kazal motifs…
UniProt
A0A376KDN7, Q9Z0J1
Ligands
GLC, ZN, SO4
Pockets
3 · best druggability 0.71

Structure

x-ray diffraction · 1 distinct chain · 49% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMaltodextrin-binding PROTEIN,REVERSION-inducing cysteine- rich protein with kazal motifs fusionprotein43249% helix, 18% strandA0A376KDN7, Q9Z0J1

Ligands and binding sites

  • GLC · alpha-D-glucopyranose · sugar · 2 copies · chains A
  • ZN · Zinc ion · metal · 2 copies · chains A
  • SO4 · Sulfate ion · ion · chains A
  • GOL · Glycerol · additive · chains A

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

Pockets

3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13750.710.8331GLC
23810.570.7547empty
32450.540.7728empty

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

  • 6WBJ · High resolution crystal structure of mRECK(CC4) in fusion with engineered MBP · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9Z0J1 · AlphaFold monomer V2.0 prediction for reversion-inducing cysteine- rich protein with… · a predicted model of the same protein · chain A against A, TM-score 0.30

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