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MolNFT v1 · #171333 · protein

Crystal structure of the aaa domain of rubisco activase from nostoc sp. (strain pcc 7120), gadolinium complex

6Z1D · Ribulose bisphosphate CARBOXYLASE/OXYGENASE activase: “Crystal structure of the aaa domain of rubisco activase from nostoc sp. (strain pcc 7120), gadolinium complex”. X-ray diffraction, 3 ligands (ADP, GD, CL), 5 pockets (best…

PDB
6Z1D
Type
protein
Length
533 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ribulose bisphosphate CARBOXYLASE/OXYGENASE activase
UniProt
P58555
Ligands
ADP, GD, CL
Pockets
5 · best druggability 0.78

Structure

x-ray diffraction · 2 distinct chains · 52% helix, 10% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ARibulose bisphosphate CARBOXYLASE/OXYGENASE activaseprotein27450% helix, 10% strandP58555
BRibulose bisphosphate CARBOXYLASE/OXYGENASE activaseprotein25955% helix, 10% strandP58555

Ligands and binding sites

  • ADP · Adenosine-5'-diphosphate · ligand · chains A, B
  • GD · Gadolinium atom · metal · 4 copies · chains A, B
  • CL · Chloride ion · ion · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110440.780.8066ADP, GD
21690.500.7821empty
3650.390.7914empty
4860.360.7619empty
5530.280.7515empty

Interfaces

1 interface between chains.

  • A–B · 1410 Ų buried · 13 hydrogen bonds · protein-protein

Compared structures

  • 6Z1D · Crystal structure of the AAA domain of Rubisco Activase from Nostoc sp. (strain PCC… · the same entry in another collection · chain A against A, TM-score 1.00
  • P58555 · AlphaFold monomer V2.0 prediction for ribulose bisphosphate CARBOXYLASE/OXYGENASE… · a predicted model of the same protein · chain B against A, TM-score 0.92

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