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MolNFT v1 · #22481 · protein

Nickel superoxide dismutase (nisod) apo structure

1T6I · Superoxide dismutase [ni]: “Nickel superoxide dismutase (nisod) apo structure”. X-ray diffraction, 1 pocket (best druggability 0.40). MolNFT v1 #22481 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1T6I
Type
protein
Length
330 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Superoxide dismutase [ni]
EC
1.15.1.1
UniProt
P80735
Pockets
1 · best druggability 0.40

Structure

x-ray diffraction · 3 distinct chains · 82% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASuperoxide dismutase [ni] (EC 1.15.1.1)protein11183% helix, 0% strandP80735
BSuperoxide dismutase [ni] (EC 1.15.1.1)protein11082% helix, 0% strandP80735
CSuperoxide dismutase [ni] (EC 1.15.1.1)protein10981% helix, 0% strandP80735

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1930.400.7723empty

Interfaces

3 interfaces between chains.

  • A–C · 369 Ų buried · 5 hydrogen bonds · protein-protein
  • B–C · 340 Ų buried · 4 hydrogen bonds · protein-protein
  • A–B · 336 Ų buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 modified (engineered).

Compared structures

  • 1T6I · Nickel Superoxide Dismutase (NiSOD) Apo Structure · the same entry in another collection · chain A against A, TM-score 1.00
  • P80735 · AlphaFold monomer V2.0 prediction for superoxide dismutase [ni] (P80735) · a predicted model of the same protein · chain C against A, TM-score 0.99

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