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MolNFT v1 · #101540 · protein

Crystal structure of cobalt-bound na-asp-2

4NUI · Ancylostoma secreted protein 2: “Crystal structure of cobalt-bound na-asp-2”. X-ray diffraction, 1 ligand (CO), 1 pocket (best druggability 0.33). MolNFT v1 #101540 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
4NUI
Type
protein
Length
193 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ancylostoma secreted protein 2
UniProt
J9ULM6
Ligands
CO
Pockets
1 · best druggability 0.33

Structure

x-ray diffraction · 1 distinct chain · 32% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAncylostoma secreted protein 2protein19332% helix, 19% strandJ9ULM6

Ligands and binding sites

  • CO · Cobalt (II) ion · metal · 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
1850.330.7417empty

Modifications

Observed in the structure: 5 disulfide (disulfide).

Compared structures

  • 4NUI · Crystal structure of cobalt-bound Na-ASP-2 · the same entry in another collection · chain A against A, TM-score 1.00

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