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Crystal structure of SOD2 from saccharomyces cerevisiae

Analyse Crystal structure of SOD2 from saccharomyces cerevisiae in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3LSU
Type
protein
Length
826 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Superoxide dismutase [mn], mitochondrial
EC
1.15.1.1
UniProt
P00447
Ligands
MN, NA
Pockets
10 · best druggability 0.69

Structure

x-ray diffraction · 2 distinct chains · 61% helix, 13% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, CSuperoxide dismutase [mn], mitochondrial (EC 1.15.1.1)protein20661% helix, 13% strandP00447
B, DSuperoxide dismutase [mn], mitochondrial (EC 1.15.1.1)protein20761% helix, 13% strandP00447

Ligands and binding sites

  • MN · Manganese (II) ion · metal · 4 copies · chains A, B, C, D
  • NA · Sodium ion · metal · chains C
  • GOL · Glycerol · additive · 4 copies · chains C, D

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14560.690.8059empty
24260.680.8045empty
3740.610.9021empty
41690.530.7928empty
5780.510.8420empty

Interfaces

6 interfaces between chains.

  • A–D · 1463 Ų buried · 10 hydrogen bonds · protein-protein
  • B–C · 1424 Ų buried · 11 hydrogen bonds · protein-protein
  • A–B · 1030 Ų buried · 18 hydrogen bonds · protein-protein
  • C–D · 1025 Ų buried · 17 hydrogen bonds · protein-protein
  • B–D · 516 Ų buried · 12 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 64 modified (methylation).

Compared structures

  • 3LSU · Crystal Structure of SOD2 from Saccharomyces cerevisiae · the same entry in another collection · chain A against A, TM-score 1.00
  • P00447 · AlphaFold monomer V2.0 prediction for superoxide dismutase [mn], mitochondrial (P00447) · a predicted model of the same protein · chain B against A, TM-score 1.00

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