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AP2 bound to the apa domain of sgip in the presence of heparin

Analyse AP2 bound to the apa domain of sgip in the presence of heparin in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7RWB
Type
protein
Length
3,408 residues
Chains
8
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ap-2 complex subunit alpha-2; Ap-2 complex subunit beta; Ap-2 complex subunit mu; Ap-2…
UniProt
P17427, Q9DBG3, P84091, P62743
Pockets
20 · best druggability 0.82

Structure

electron microscopy · 4 distinct chains · 54% helix, 12% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, aAp-2 complex subunit alpha-2protein61271% helix, 1% strandP17427
B, bAp-2 complex subunit betaprotein55765% helix, 0% strandQ9DBG3
M, mAp-2 complex subunit muprotein39316% helix, 43% strandP84091
S, sAp-2 complex subunit sigmaprotein14243% helix, 25% strandP62743

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111880.820.83151empty
25580.800.8670empty
36780.790.8377empty
44090.760.8563empty
54970.740.8260empty

Interfaces

15 interfaces between chains.

  • A–S · 2444 Ų buried · 22 hydrogen bonds · protein-protein
  • a–s · 2443 Ų buried · 22 hydrogen bonds · protein-protein
  • A–B · 1823 Ų buried · 19 hydrogen bonds · protein-protein
  • a–b · 1823 Ų buried · 19 hydrogen bonds · protein-protein
  • B–M · 1659 Ų buried · 11 hydrogen bonds · protein-protein

Compared structures

  • 7RWB · AP2 bound to the APA domain of SGIP in the presence of heparin · the same entry in another collection · chain m against m, TM-score 1.00
  • P62743 · AlphaFold monomer V2.0 prediction for ap-2 complex subunit sigma (P62743) · a predicted model of the same protein · chain S against A, TM-score 0.97
  • P17427 · AlphaFold monomer V2.0 prediction for ap-2 complex subunit alpha-2 (P17427) · a predicted model of the same protein · chain a against A, TM-score 0.96

Analyse

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