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Eukaryotic junction-resolving enzyme gen-1 binding with cesium

Analyse Eukaryotic junction-resolving enzyme gen-1 binding with cesium in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6GRD
Type
protein + DNA
Length
436 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Nuclease-like protein; DNA (5'-D(*TP*GP*AP*GP*CP*GP*GP*TP*GP*GP*TP*TP*GP*GP*T)- 3'); DNA…
UniProt
G0RYN2
Ligands
CS, MG
Pockets
5 · best druggability 0.60

Structure

x-ray diffraction · 3 distinct chains · 47% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANuclease-like proteinprotein40747% helix, 14% strandG0RYN2
HDNA (5'-D(*TP*GP*AP*GP*CP*GP*GP*TP*GP*GP*TP*TP*GP*GP*T)- 3')dna14——
RDNA (5'-D(*TP*AP*CP*CP*CP*AP*CP*CP*AP*CP*CP*GP*CP*TP*CP*A)- 3')dna15——

Ligands and binding sites

  • CS · Cesium ion · metal · chains A, R
  • MG · Magnesium ion · metal · chains A, H

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

Pockets

5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12560.600.8029empty
24200.580.7534empty
32780.570.7728empty
41800.530.7918empty
5520.330.7713empty

Interfaces

3 interfaces between chains.

  • H–R · 632 Ų buried · 63 hydrogen bonds · nucleic-nucleic
  • A–H · 361 Ų buried · 6 hydrogen bonds · protein-nucleic
  • A–R · 290 Ų buried · 8 hydrogen bonds · protein-nucleic

Modifications

Observed in the structure: 7 modified (engineered).

Compared structures

  • 6GRD · eukaryotic junction-resolving enzyme GEN-1 binding with Cesium · the same entry in another collection · chain A against A, TM-score 1.00

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