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MolNFT v1 · #109856 · protein

Tetragonal structure of ARP2/3 complex

4XF2 · Actin-related protein 3: “Tetragonal structure of ARP2/3 complex”. X-ray diffraction, 20 pockets (best druggability 0.86). MolNFT v1 #109856 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
4XF2
Type
protein
Length
3,476 residues
Chains
14
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 0.86

Structure

x-ray diffraction · 7 distinct chains · 28% helix, 10% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, TActin-related protein 3protein39234% helix, 10% strandP61157
B, UActin-related protein 2protein22826% helix, 4% strandA7MB62
C, VActin-related protein 2/3 complex subunit 1Bprotein3543% helix, 25% strandQ58CQ2
D, WActin-related protein 2/3 complex subunit 2protein28438% helix, 10% strandQ3MHR7
E, XActin-related protein 2/3 complex subunit 3protein17436% helix, 0% strandQ3T035
F, YActin-related protein 2/3 complex subunit 4protein16740% helix, 11% strandQ148J6
G, ZActin-related protein 2/3 complex subunit 5protein13937% helix, 0% strandQ3SYX9

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110450.860.87120empty
211650.860.87126empty
31670.800.9539empty
45970.790.8582empty
51230.790.9739empty

Interfaces

26 interfaces between chains.

  • D–F · 2143 Ų buried · 12 hydrogen bonds · protein-protein
  • W–Y · 2125 Ų buried · 10 hydrogen bonds · protein-protein
  • T–W · 1766 Ų buried · 19 hydrogen bonds · protein-protein
  • A–D · 1743 Ų buried · 11 hydrogen bonds · protein-protein
  • C–F · 1172 Ų buried · 11 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 4XF2 · Tetragonal structure of Arp2/3 complex · the same entry in another collection · chain V against V, TM-score 1.00

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