GL1X · GenesisL1 explorer

MolNFT v1 · #25076 · protein

Manganese superoxide dismutase from escherichia COLI

1VEW: “Manganese superoxide dismutase from escherichia COLI”. X-ray diffraction, 2 ligands (MN, OH), 8 pockets (best druggability 0.66). MolNFT v1 #25076 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1VEW
Type
protein
Length
820 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Manganese superoxide dismutase
EC
1.15.1.1
UniProt
P00448
Ligands
MN, OH
Pockets
8 · best druggability 0.66

Structure

x-ray diffraction · 1 distinct chain · 55% helix, 12% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, DManganese superoxide dismutase (EC 1.15.1.1)protein20555% helix, 12% strandP00448

Ligands and binding sites

  • MN · Manganese (II) ion · metal · 4 copies · chains A, B, C, D
  • OH · Hydroxide ion · ion · 4 copies · chains A, B, C, D

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15980.660.7678empty
21780.540.7923empty
31620.540.8022empty
41820.520.7825empty
51680.520.7919empty

Interfaces

3 interfaces between chains.

  • A–B · 919 Ų buried · 13 hydrogen bonds · protein-protein
  • C–D · 914 Ų buried · 13 hydrogen bonds · protein-protein
  • A–D · 214 Ų buried · 5 hydrogen bonds · protein-protein

Compared structures

  • 1VEW · Manganese superoxide dismutase from escherichia COLI · the same entry in another collection · chain A against A, TM-score 1.00
  • P00448 · AlphaFold monomer V2.0 prediction for superoxide dismutase [mn] (P00448) · a predicted model of the same protein · chain A against A, TM-score 0.99

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