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Rubisco from thalassiosira antarctica

Analyse Rubisco from thalassiosira antarctica in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5MZ2
Type
protein
Length
4,959 residues
Chains
16
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Rubisco large subunit; Rubisco small subunit
Ligands
CAP, MG
Pockets
20 · best druggability 0.87

Structure

x-ray diffraction · 5 distinct chains · 40% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, H, F, ERubisco large subunitprotein48142% helix, 16% strand—
C, BRubisco large subunitprotein48042% helix, 16% strand—
DRubisco large subunitprotein48242% helix, 16% strand—
GRubisco large subunitprotein48142% helix, 16% strand—
I, O, L, N, M, P, J, KRubisco small subunitprotein13923% helix, 29% strand—

Ligands and binding sites

  • CAP · 2-carboxyarabinitol-1,5-diphosphate · ligand · 8 copies · chains A, B, C, D, H, G, F, E
  • MG · Magnesium ion · metal · 10 copies · chains A, B, C, D, H, G, F, E, I, J, K, O, N, P
  • EDO · 1,2-ethanediol · additive · 22 copies · chains A, G, I, H, F, N, D, B, P, J, L, C, O, E, K, M

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

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13780.870.9666empty
23750.870.9666empty
32770.850.9646empty
42700.840.9650EDO
52680.840.9653empty

Interfaces

56 interfaces between chains.

  • A–B · 4909 Ų buried · 92 hydrogen bonds · protein-protein
  • C–D · 4906 Ų buried · 96 hydrogen bonds · protein-protein
  • H–G · 4905 Ų buried · 93 hydrogen bonds · protein-protein
  • F–E · 4897 Ų buried · 94 hydrogen bonds · protein-protein
  • F–N · 1592 Ų buried · 23 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 64 modified (nonstandard, hydroxylation, carboxylation, methylation, oxidation).

Compared structures

  • 5MZ2 · Rubisco from Thalassiosira antarctica · the same entry in another collection · chain A against A, TM-score 1.00

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