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MolNFT v1 · #179198 · protein + DNA

Analysis of a strand exchange reaction with a mini filament of 9-reca, 27-mer ssdna, partially-homologous 67 bp dsdna and atpgammas

7JY8 · Protein reca: “Analysis of a strand exchange reaction with a mini filament of 9-reca, 27-mer ssdna, partially-homologous 67…”. Electron microscopy, 2 ligands (AGS, MG), 20 pockets (best druggability 0.80). MolNFT v1 #179198 on…

PDB
7JY8
Type
protein + DNA
Length
3,001 residues
Chains
11
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protein reca; DNA (27-mer); DNA (5'-D(P*AP*AP*AP*AP*AP*AP*AP*AP*AP*A)-3')
UniProt
A0A376NU07
Ligands
AGS, MG
Pockets
20 · best druggability 0.80

Structure

electron microscopy · 4 distinct chains · 38% helix, 27% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, E, F, G, HProtein recaprotein33340% helix, 26% strandA0A376NU07
IProtein recaprotein30035% helix, 28% strandA0A376NU07
SDNA (27-mer)dna27——
TDNA (5'-D(P*AP*AP*AP*AP*AP*AP*AP*AP*AP*A)-3')dna10——

Ligands and binding sites

  • AGS · Phosphothiophosphoric acid-adenylate ester · ligand · 9 copies · chains A, B, C, D, E, F, G, H, I
  • MG · Magnesium ion · metal · 9 copies · chains A, B, C, D, E, F, G, H, I

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

Pockets

20 pockets found on a 1 Å grid, 16 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19040.800.8279MG, AGS
28360.790.8279MG, AGS
39250.790.8193MG, AGS
48980.790.8185MG, AGS
58000.790.8278MG, AGS

Interfaces

30 interfaces between chains.

  • A–B · 2245 Ų buried · 15 hydrogen bonds · protein-protein
  • D–E · 2222 Ų buried · 19 hydrogen bonds · protein-protein
  • G–H · 2221 Ų buried · 19 hydrogen bonds · protein-protein
  • E–F · 2214 Ų buried · 20 hydrogen bonds · protein-protein
  • H–I · 2197 Ų buried · 18 hydrogen bonds · protein-protein

Compared structures

  • 7JY8 · Analysis of a strand exchange reaction with a mini filament of 9-RecA, 27-mer ssDNA… · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

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