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Engbf darpin fusion 4B G10

Analyse Engbf darpin fusion 4B G10 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6QFK
Type
protein
Length
1,362 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Pega domain-containing PROTEIN,PEGA domain-containing PROTEIN,ENGBF darpin fusion G10…
UniProt
A0A414FD23
Ligands
MN
Pockets
14 · best druggability 0.75

Structure

x-ray diffraction · 2 distinct chains · 21% helix, 31% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APega domain-containing PROTEIN,PEGA domain-containing PROTEIN,ENGBF darpin fusion G10protein134721% helix, 31% strandA0A414FD23
BV3-ifprotein150% helix, 40% strand—

Ligands and binding sites

  • MN · Manganese (II) ion · metal · 4 copies · chains A
  • EDO · 1,2-ethanediol · additive · 11 copies · chains A
  • MES · 2-(N-morpholino)-ethanesulfonic acid · additive · 2 copies · chains A
  • MPD · (4S)-2-methyl-2,4-pentanediol · additive · chains A

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

Pockets

14 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13580.750.8679EDO
2720.740.9826empty
37600.730.7980empty
42370.520.7631EDO
51820.510.7725EDO

Interfaces

1 interface between chains.

  • A–B · 739 Ų buried · 8 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 d-amino (D-amino acid).

Compared structures

  • 6QFK · EngBF DARPin Fusion 4b G10 · the same entry in another collection · chain A against A, TM-score 1.00

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