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MolNFT v1 · #77890 · protein

Structural and biochemical characterization of two binding sites for nucleation promoting factor wasp-vca on ARP2/3 complex

3RSE · Actin-related protein 3: “Structural and biochemical characterization of two binding sites for nucleation promoting factor wasp-vca on…”. X-ray diffraction, 20 pockets (best druggability 0.83). MolNFT v1 #77890 on GenesisL1: 3D…

PDB
3RSE
Type
protein
Length
1,705 residues
Chains
8
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Actin-related protein 3; Actin-related protein 2; Actin-related protein 2/3 complex…
UniProt
P61157, A7MB62, Q58CQ2, Q3MHR7, Q3T035, Q148J6, Q3SYX9
Pockets
20 · best druggability 0.83

Structure

x-ray diffraction · 8 distinct chains · 39% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AActin-related protein 3protein39645% helix, 18% strandP61157
BActin-related protein 2protein19643% helix, 14% strandA7MB62
CActin-related protein 2/3 complex subunit 1Bprotein3545% helix, 49% strandQ58CQ2
DActin-related protein 2/3 complex subunit 2protein28045% helix, 21% strandQ3MHR7
EActin-related protein 2/3 complex subunit 3protein17348% helix, 2% strandQ3T035
FActin-related protein 2/3 complex subunit 4protein16751% helix, 16% strandQ148J6
GActin-related protein 2/3 complex subunit 5protein13666% helix, 0% strandQ3SYX9
ZCa fragment of bos taurus N-waspprotein30% helix, 0% strand—

Pockets

20 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16980.830.8768empty
22440.790.9144empty
3930.770.9723empty
45170.750.8354empty
55990.720.8059empty

Interfaces

13 interfaces between chains.

  • D–F · 2267 Ų buried · 14 hydrogen bonds · protein-protein
  • A–D · 1723 Ų buried · 28 hydrogen bonds · protein-protein
  • C–F · 1214 Ų buried · 13 hydrogen bonds · protein-protein
  • A–E · 944 Ų buried · 14 hydrogen bonds · protein-protein
  • F–G · 942 Ų buried · 5 hydrogen bonds · protein-protein

Compared structures

  • 3RSE · Structural and biochemical characterization of two binding sites for nucleation promoting… · the same entry in another collection · chain Z against Z, TM-score 1.00
  • Q58CQ2 · AlphaFold monomer V2.0 prediction for actin-related protein 2/3 complex subunit 1B… · a predicted model of the same protein · chain C against A, TM-score 0.99
  • Q3MHR7 · AlphaFold monomer V2.0 prediction for actin-related protein 2/3 complex subunit 2 (Q3MHR7) · a predicted model of the same protein · chain D against A, TM-score 0.99
  • Q3T035 · AlphaFold monomer V2.0 prediction for actin-related protein 2/3 complex subunit 3 (Q3T035) · a predicted model of the same protein · chain E against A, TM-score 0.98
  • Q3SYX9 · AlphaFold monomer V2.0 prediction for actin-related protein 2/3 complex subunit 5 (Q3SYX9) · a predicted model of the same protein · chain G against A, TM-score 0.98

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