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Cryo-EM structure of phosphorylated ap-2 (mu E302K) bound to necap in the presence of ss DNA

Analyse Cryo-EM structure of phosphorylated ap-2 (mu E302K) bound to necap in the… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6OXL
Type
protein
Length
1,815 residues
Chains
6
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
Q9DBG3, P84091, P62744, Q9D1J1
Pockets
20 · best druggability 0.85

Structure

electron microscopy · 6 distinct chains · 49% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAp-2 complex subunit alpha-2protein58969% helix, 1% strand—
BAp-2 complex subunit betaprotein56463% helix, 0% strandQ9DBG3
MAp-2 complex subunit muprotein39012% helix, 43% strandP84091
SAp-2 complex subunit sigmaprotein14139% helix, 23% strandP62744
NAdaptin ear-binding coat-associated protein 2protein12423% helix, 43% strandQ9D1J1
nUnknown region of adaptin ear-binding coat-associated protein 2 ex-domainprotein70% helix, 0% strand—

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19950.850.86104empty
26330.810.8677empty
37890.800.8365empty
48530.780.8190empty
52800.730.8737empty

Interfaces

9 interfaces between chains.

  • B–M · 3359 Ų buried · 33 hydrogen bonds · protein-protein
  • A–S · 2566 Ų buried · 26 hydrogen bonds · protein-protein
  • A–B · 1742 Ų buried · 22 hydrogen bonds · protein-protein
  • A–M · 1067 Ų buried · 11 hydrogen bonds · protein-protein
  • M–N · 789 Ų buried · 7 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 modified (phosphorylation).

Compared structures

  • 6OXL · CRYO-EM STRUCTURE OF PHOSPHORYLATED AP-2 (mu E302K) BOUND TO NECAP IN THE PRESENCE OF SS… · the same entry in another collection · chain n against n, TM-score 1.00
  • P62744 · AlphaFold monomer V2.0 prediction for ap-2 complex subunit sigma (P62744) · a predicted model of the same protein · chain S against A, TM-score 0.98
  • Q9D1J1 · AlphaFold monomer V2.0 prediction for adaptin ear-binding coat- associated protein 2… · a predicted model of the same protein · chain N against A, TM-score 0.96
  • Q9DBG3 · AlphaFold monomer V2.0 prediction for ap-2 complex subunit beta (Q9DBG3) · a predicted model of the same protein · chain B against A, TM-score 0.94
  • P84091 · AlphaFold monomer V2.0 prediction for ap-2 complex subunit mu (P84091) · a predicted model of the same protein · chain M against A, TM-score 0.61

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