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Solution structure of a diiron protein model: due FERRI(II) turn mutant

Analyse Solution structure of a diiron protein model: due FERRI(II) turn mutant in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1U7M
Type
protein
Length
106 residues
Chains
2
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Four-helix bundle model
Ligands
ZN
Pockets
2 · best druggability 0.62

Structure

solution nmr · 1 distinct chain · 79% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BFour-helix bundle modelprotein5379% helix, 0% strand—

Ligands and binding sites

  • ZN · Zinc ion · metal · 2 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, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1720.620.9013empty
2920.550.8516empty

Interfaces

1 interface between chains.

  • A–B · 1053 Ų buried · 11 hydrogen bonds · protein-protein

Compared structures

  • 1U7M · Solution structure of a diiron protein model: Due Ferri(II) turn mutant · the same entry in another collection · chain A against A, TM-score 1.00

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