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Crystal structure of bovine ARP2/3 complex co-crystallized with ADP and crosslinked with gluteraldehyde

Analyse Crystal structure of bovine ARP2/3 complex co-crystallized with ADP and… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2P9I
Type
protein
Length
1,764 residues
Chains
7
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Actin-like protein 3; Actin-like protein 2; Actin-related protein 2/3 complex subunit 1B…
UniProt
P61157, A7MB62, Q58CQ2, Q3MHR7, Q3T035, Q148J6, Q3SYX9
Ligands
ADP, CA
Pockets
18 · best druggability 0.82

Structure

x-ray diffraction · 7 distinct chains · 39% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AActin-like protein 3protein39345% helix, 19% strandP61157
BActin-like protein 2protein27242% helix, 18% strandA7MB62
CActin-related protein 2/3 complex subunit 1Bprotein3413% helix, 51% strandQ58CQ2
DActin-related protein 2/3 complex subunit 2protein28044% helix, 23% strandQ3MHR7
EActin-related protein 2/3 complex subunit 3protein17447% helix, 5% strandQ3T035
FActin-related protein 2/3 complex subunit 4protein16751% helix, 16% strandQ148J6
GActin-related protein 2/3 complex subunit 5protein13766% helix, 0% strandQ3SYX9

Ligands and binding sites

  • ADP · Adenosine-5'-diphosphate · ligand · 2 copies · chains A, B
  • CA · Calcium ion · metal · 2 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

18 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16390.820.8759empty
23780.790.8862CA, ADP
37710.780.8287CA, ADP
45160.710.8080empty
55500.710.8062empty

Interfaces

12 interfaces between chains.

  • D–F · 2218 Ų buried · 7 hydrogen bonds · protein-protein
  • A–D · 1727 Ų buried · 25 hydrogen bonds · protein-protein
  • C–F · 1235 Ų buried · 15 hydrogen bonds · protein-protein
  • F–G · 972 Ų buried · 8 hydrogen bonds · protein-protein
  • A–E · 941 Ų buried · 13 hydrogen bonds · protein-protein

Compared structures

  • 2P9I · Crystal Structure of bovine Arp2/3 Complex co-crystallized with ADP and crosslinked with… · the same entry in another collection · chain G against G, 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 1.00
  • 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
  • Q148J6 · AlphaFold monomer V2.0 prediction for actin-related protein 2/3 complex subunit 4 (Q148J6) · a predicted model of the same protein · chain F against A, TM-score 0.98
  • P61157 · AlphaFold monomer V2.0 prediction for actin-related protein 3 (P61157) · a predicted model of the same protein · chain A against A, TM-score 0.98

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