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Engbf darpin fusion 4B D12

Analyse Engbf darpin fusion 4B D12 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6SH9
Type
protein
Length
1,349 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Endo-alpha-N-ACETYLGALACTOSAMINIDASE,DARPIN 4B D12; Envelope glycoprotein GP160
EC
3.2.1.97
UniProt
Q3T552, P05877
Ligands
MN
Pockets
15 · best druggability 0.81

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
BEndo-alpha-N-ACETYLGALACTOSAMINIDASE,DARPIN 4B D12 (EC 3.2.1.97)protein133921% helix, 31% strandQ3T552
EEnvelope glycoprotein GP160protein100% helix, 20% strandP05877

Ligands and binding sites

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

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11870.810.9650empty
2700.750.9924empty
38200.720.7781empty
42300.520.7636empty
51440.520.8025empty

Interfaces

1 interface between chains.

  • B–E · 486 Ų buried · 5 hydrogen bonds · protein-protein

Compared structures

  • 6SH9 · EngBF DARPin Fusion 4b D12 · the same entry in another collection · chain B against B, TM-score 1.00

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