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MolNFT v1 · #129325 · protein

Cryo-EM structure of jasplakinolide-stabilized malaria parasite F- actin at near-atomic resolution

5OGW · Actin-1: “Cryo-EM structure of jasplakinolide-stabilized malaria parasite F- actin at near-atomic resolution”. Electron microscopy, 3 ligands (ADP, 9UE, MG), 15 pockets (best druggability 0.79). MolNFT v1 #129325 on GenesisL1: 3D…

PDB
5OGW
Type
protein
Length
1,850 residues
Chains
5
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Actin-1
UniProt
P86287
Ligands
ADP, 9UE, MG
Pockets
15 · best druggability 0.79

Structure

electron microscopy · 1 distinct chain · 39% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, EActin-1protein37039% helix, 19% strandP86287

Ligands and binding sites

  • ADP · Adenosine-5'-diphosphate · ligand · 5 copies · chains A, B, C, D, E
  • 9UE · Jasplakinolide · ligand · 3 copies · chains A, B, D, C, E
  • MG · Magnesium ion · metal · 5 copies · chains A, B, C, D, E

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

Pockets

15 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12730.790.9152ADP, MG
26440.780.8375empty
36070.770.8378empty
42820.760.8955ADP, MG
52670.760.8949ADP, MG

Interfaces

7 interfaces between chains.

  • D–E · 1206 Ų buried · 5 hydrogen bonds · protein-protein
  • A–B · 1200 Ų buried · 5 hydrogen bonds · protein-protein
  • A–C · 1200 Ų buried · 5 hydrogen bonds · protein-protein
  • B–D · 521 Ų buried · 6 hydrogen bonds · protein-protein
  • A–D · 514 Ų buried · 6 hydrogen bonds · protein-protein

Compared structures

  • 5OGW · Cryo-EM structure of jasplakinolide-stabilized malaria parasite F-actin at near-atomic… · the same entry in another collection · chain E against E, TM-score 1.00
  • P86287 · AlphaFold monomer V2.0 prediction for actin-1 (P86287) · a predicted model of the same protein · chain D against A, TM-score 0.96

Analyse

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