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MolNFT v1 · #144801 · protein

Cross-alpha amyloid-like structure alphaamg - low resolution

6C4Z: “Cross-alpha amyloid-like structure alphaamg - low resolution”. X-ray diffraction, 1 ligand (NH2), 1 pocket (best druggability 0.39). MolNFT v1 #144801 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6C4Z
Type
protein
Length
450 residues
Chains
18
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cross-alpha amyloid-like structure alphaamg - low resolution
Ligands
NH2
Pockets
1 · best druggability 0.39

Structure

x-ray diffraction · 1 distinct chain · 88% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, P, O, R, Q, E, F, G, H, L, K, N, M, J, ICross-alpha amyloid-like structure alphaamg - low resolutionprotein2588% helix, 0% strand—

Ligands and binding sites

  • NH2 · Amino group · ion · 18 copies · chains A, B, C, D, P, N, O, Q, R, E, F, H, G, I, L, K, M, J

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
1520.390.8116empty

Interfaces

41 interfaces between chains.

  • P–R · 631 Ų buried · 1 hydrogen bond · protein-protein
  • D–F · 625 Ų buried · 2 hydrogen bonds · protein-protein
  • L–N · 615 Ų buried · 2 hydrogen bonds · protein-protein
  • F–H · 612 Ų buried · 5 hydrogen bonds · protein-protein
  • C–D · 607 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 6C4Z · Cross-alpha Amyloid-like Structure alphaAmG - low resolution · the same entry in another collection · chain J against J, TM-score 1.00

Analyse

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