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Crystal structure of rbcx C103A mutant from thermosynechococcus elongatus

Analyse Crystal structure of rbcx C103A mutant from thermosynechococcus elongatus in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3Q20
Type
protein
Length
220 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Rbcx protein
UniProt
Q8DIS6
Pockets
3 · best druggability 0.32

Structure

x-ray diffraction · 2 distinct chains · 91% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ARbcx proteinprotein11490% helix, 0% strandQ8DIS6
BRbcx proteinprotein10692% helix, 0% strandQ8DIS6

Ligands and binding sites

  • ACT · Acetate ion · additive · 2 copies · chains B
  • HEZ · Hexane-1,6-diol · additive · 2 copies · chains A, B

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

Pockets

3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1830.320.7416empty
2790.290.7218empty
3720.280.7212empty

Interfaces

1 interface between chains.

  • A–B · 2459 Ų buried · 19 hydrogen bonds · protein-protein

Compared structures

  • 3Q20 · Crystal structure of RbcX C103A mutant from Thermosynechococcus elongatus · the same entry in another collection · chain A against A, TM-score 1.00
  • Q8DIS6 · AlphaFold monomer V2.0 prediction for rubisco chaperone rbcx (Q8DIS6) · a predicted model of the same protein · chain B against A, TM-score 0.97

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