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MolNFT v1 · #3868 · protein

Crystal structure of E. COLI mnsod at 100K

1D5N · Protein (manganese superoxide dismutase): “Crystal structure of E. COLI mnsod at 100K”. X-ray diffraction, 1 ligand (MN), 11 pockets (best druggability 0.60). MolNFT v1 #3868 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
1D5N
Type
protein
Length
820 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protein (manganese superoxide dismutase)
EC
1.15.1.1
UniProt
P00448
Ligands
MN
Pockets
11 · best druggability 0.60

Structure

x-ray diffraction · 1 distinct chain · 57% helix, 12% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, DProtein (manganese superoxide dismutase) (EC 1.15.1.1)protein20557% helix, 12% strandP00448

Ligands and binding sites

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

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13880.600.7641empty
21670.550.8020empty
31630.540.8023empty
41900.540.7922empty
51560.530.8021empty

Interfaces

3 interfaces between chains.

  • A–B · 923 Ų buried · 13 hydrogen bonds · protein-protein
  • C–D · 918 Ų buried · 13 hydrogen bonds · protein-protein
  • A–D · 233 Ų buried · 5 hydrogen bonds · protein-protein

Compared structures

  • 1D5N · Crystal structure of E. COLI mnsod at 100K · 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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