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Mechanisms of crippling actin-dependent phagocytosis by yopo

Analyse Mechanisms of crippling actin-dependent phagocytosis by yopo in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4CI6
Type
protein
Length
934 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Actin; Protein kinase yopo
UniProt
G3CKA6, Q93KQ6
Ligands
ATP, CA
Pockets
9 · best druggability 0.77

Structure

x-ray diffraction · 2 distinct chains · 51% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AActinprotein35844% helix, 21% strandG3CKA6
BProtein kinase yopoprotein57656% helix, 10% strandQ93KQ6

Ligands and binding sites

  • ATP · Adenosine-5'-triphosphate · ligand · chains A
  • CA · Calcium ion · metal · chains A

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

Pockets

9 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16020.770.8377ATP, CA
211100.750.77139empty
33440.640.8048empty
41520.420.7423empty
5960.420.7816empty

Interfaces

1 interface between chains.

  • A–B · 2173 Ų buried · 45 hydrogen bonds · protein-protein

Compared structures

  • 4CI6 · Mechanisms of crippling actin-dependent phagocytosis by YopO · the same entry in another collection · chain A against A, TM-score 1.00

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