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HAD7 knob in complex with 2 EC2-EC3 modules of dsg-2

Analyse HAD7 knob in complex with 2 EC2-EC3 modules of dsg-2 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7AGG
Type
protein
Length
1,056 residues
Chains
5
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Fiber; Desmoglein-2
UniProt
Q5EY45, Q14126
Pockets
11 · best druggability 0.81

Structure

electron microscopy · 2 distinct chains · 5% helix, 36% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, CFiberprotein19810% helix, 40% strandQ5EY45
D, FDesmoglein-2protein2311% helix, 33% strandQ14126

Pockets

11 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15890.810.8641empty
211670.770.7995empty
36780.710.7858empty
42730.600.8029empty
51530.490.7721empty

Interfaces

8 interfaces between chains.

  • A–B · 1114 Ų buried · 10 hydrogen bonds · protein-protein
  • A–C · 1093 Ų buried · 7 hydrogen bonds · protein-protein
  • B–C · 1076 Ų buried · 7 hydrogen bonds · protein-protein
  • B–F · 534 Ų buried · 5 hydrogen bonds · protein-protein
  • D–C · 518 Ų buried · 4 hydrogen bonds · protein-protein

Compared structures

  • 7AGG · HAd7 knob in complex with 2 EC2-EC3 modules of DSG-2 · the same entry in another collection · chain D against D, TM-score 1.00
  • Q14126 · AlphaFold monomer V2.0 prediction for desmoglein-2 (Q14126) · a predicted model of the same protein · chain F against A, TM-score 0.96

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