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MolNFT v1 · #33099 · protein

Atomic resolution structure of cu-zn human superoxide dismutase

2C9V · Superoxide dismutase [cu-zn]: “Atomic resolution structure of cu-zn human superoxide dismutase”. X-ray diffraction, 4 ligands (CU, ZN, NA), 2 pockets (best druggability 0.64). MolNFT v1 #33099 on GenesisL1: 3D structure, binding…

PDB
2C9V
Type
protein
Length
306 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Superoxide dismutase [cu-zn]
EC
1.15.1.1
UniProt
P00441
Ligands
CU, ZN, NA, SO4
Pockets
2 · best druggability 0.64

Structure

x-ray diffraction · 1 distinct chain · 8% helix, 41% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, FSuperoxide dismutase [cu-zn] (EC 1.15.1.1)protein1538% helix, 41% strandP00441

Ligands and binding sites

  • CU · Copper (II) ion · metal · 2 copies · chains A, F
  • ZN · Zinc ion · metal · 2 copies · chains A, F
  • NA · Sodium ion · metal · 2 copies · chains A, F
  • SO4 · Sulfate ion · ion · 5 copies · chains A, F

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
11820.640.8529empty
2970.320.7319empty

Interfaces

1 interface between chains.

  • A–F · 725 Ų buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 2C9V · Atomic resolution structure of Cu-Zn Human Superoxide dismutase · the same entry in another collection · chain F against F, TM-score 1.00

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