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MolNFT v1 · #5168 · protein

Crystal structure of bovine sod - 1 of 3

1E9O · Superoxide dismutase: “Crystal structure of bovine sod - 1 of 3”. X-ray diffraction, 1 ligand (CU), 2 pockets (best druggability 0.62). MolNFT v1 #5168 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1E9O
Type
protein
Length
302 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Superoxide dismutase
EC
1.15.1.1
UniProt
P00442
Ligands
CU
Pockets
2 · best druggability 0.62

Structure

x-ray diffraction · 2 distinct chains · 5% helix, 42% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASuperoxide dismutase (EC 1.15.1.1)protein1515% helix, 42% strandP00442
BSuperoxide dismutase (EC 1.15.1.1)protein1516% helix, 42% strandP00442

Ligands and binding sites

  • CU · Copper (II) ion · metal · 4 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11890.620.8433empty
2860.330.7417empty

Interfaces

1 interface between chains.

  • A–B · 699 Ų buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 1E9O · Crystal structure of bovine SOD - 1 of 3 · the same entry in another collection · chain A against A, TM-score 1.00
  • P00442 · AlphaFold monomer V2.0 prediction for superoxide dismutase [cu-zn] (P00442) · a predicted model of the same protein · chain A against A, TM-score 1.00

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