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MolNFT v1 · #166207 · protein

Artificial iron proteins: modelling the active sites in non-heme dioxygenases

6UIY · Streptavidin: “Artificial iron proteins: modelling the active sites in non-heme dioxygenases”. X-ray diffraction, 1 ligand (QG1), 1 pocket (best druggability 0.48). MolNFT v1 #166207 on GenesisL1: 3D structure, binding sites and…

PDB
6UIY
Type
protein
Length
125 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Streptavidin
UniProt
P22629
Ligands
QG1
Pockets
1 · best druggability 0.48

Structure

x-ray diffraction · 1 distinct chain · 8% helix, 54% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AStreptavidinprotein1258% helix, 54% strandP22629

Ligands and binding sites

  • QG1 · {5-[(3as,4s,6ar)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-(2-{[(pyridin-2-yl) methyl][(pyridin-2-yl-kappan)methyl]amino-kappan}ethyl)pentanamide}iron(2+) · ligand · chains A
  • ACT · Acetate ion · additive · 2 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11000.480.8018QG1

Compared structures

  • 6UIY · Artificial Iron Proteins: Modelling the Active Sites in Non-Heme Dioxygenases · the same entry in another collection · chain A against A, TM-score 1.00

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