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Crystal structure hp-nap from strain YS39 iron loaded (cocrystallization 5MM)

Analyse Crystal structure hp-nap from strain YS39 iron loaded (cocrystallization 5MM) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3TA8
Type
protein
Length
144 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Neutrophil-activating protein
UniProt
G1UIZ3
Ligands
FE
Pockets
1 · best druggability 0.47

Structure

x-ray diffraction · 1 distinct chain · 78% helix, 1% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANeutrophil-activating proteinprotein14478% helix, 1% strandG1UIZ3

Ligands and binding sites

  • FE · Fe (III) ion · metal · 2 copies · chains A
  • EDO · 1,2-ethanediol · additive · 4 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
11400.470.7718EDO

Compared structures

  • 3TA8 · Crystal structure HP-NAP from strain YS39 iron loaded (cocrystallization 5mM) · the same entry in another collection · chain A against A, TM-score 1.00

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