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MolNFT v1 · #186966 · protein

AP2 bound to the apa domain of sgip and heparin; partial signal subtraction and symmetry expansion

7RWC · Ap-2 complex subunit alpha-2: “AP2 bound to the apa domain of sgip and heparin; partial signal subtraction and symmetry expansion”. Electron microscopy, 20 pockets (best druggability 0.77). MolNFT v1 #186966 on GenesisL1: 3D…

PDB
7RWC
Type
protein
Length
1,713 residues
Chains
5
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 0.77

Structure

electron microscopy · 5 distinct chains · 53% helix, 11% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAp-2 complex subunit alpha-2protein61369% helix, 1% strandP17427
BAp-2 complex subunit betaprotein55764% helix, 0% strandQ9DBG3
MAp-2 complex subunit muprotein39315% helix, 38% strandP84091
SAp-2 complex subunit sigmaprotein14243% helix, 23% strandP62743
PSH3-containing GRB2-like protein 3-interacting protein 1protein80% helix, 0% strand—

Pockets

20 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15700.770.8368empty
24520.750.8482empty
310650.720.76107empty
46170.720.7965empty
5690.670.9423empty

Interfaces

6 interfaces between chains.

  • A–S · 2441 Ų buried · 26 hydrogen bonds · protein-protein
  • B–M · 2019 Ų buried · 15 hydrogen bonds · protein-protein
  • A–B · 1827 Ų buried · 18 hydrogen bonds · protein-protein
  • A–M · 443 Ų buried · 0 hydrogen bonds · protein-protein
  • B–P · 410 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 7RWC · AP2 bound to the APA domain of SGIP and heparin; partial signal subtraction and symmetry… · the same entry in another collection · chain P against P, 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
  • 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 0.85
  • 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 0.59

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