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MolNFT v1 · #86098 · protein

X-ray structure of zint from salmonella enterica in complex with zinc ion and peg

4AW8 · Metal-binding protein zint: “X-ray structure of zint from salmonella enterica in complex with zinc ion and peg”. X-ray diffraction, 3 ligands (NA, ZN, SO4), 1 pocket (best druggability 0.66). MolNFT v1 #86098 on GenesisL1: 3D…

PDB
4AW8
Type
protein
Length
186 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Metal-binding protein zint
UniProt
A0A315GY36
Ligands
NA, ZN, SO4
Pockets
1 · best druggability 0.66

Structure

x-ray diffraction · 1 distinct chain · 29% helix, 31% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMetal-binding protein zintprotein18629% helix, 31% strandA0A315GY36

Ligands and binding sites

  • NA · Sodium ion · metal · 2 copies · chains A
  • ZN · Zinc ion · metal · chains A
  • SO4 · Sulfate ion · ion · 5 copies · chains A
  • PG6 · 1-(2-methoxy-ethoxy)-2-{2-[2-(2-methoxy-ethoxy]-ethoxy}-ethane · additive · 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14430.660.7845ZN, PG6

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 4AW8 · X-ray structure of ZinT from Salmonella enterica in complex with zinc ion and PEG · the same entry in another collection · chain A against A, TM-score 1.00

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