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Cryo-electron microscopy structure of rag paired complex (with nbd, no symmetry)

Analyse Cryo-electron microscopy structure of rag paired complex (with nbd, no symmetry) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3JBW
Type
protein + DNA
Length
2,168 residues
Chains
10
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
V(D)J recombination-activating protein 1; V(D)J recombination-activating protein 2…
EC
3.1.-.-, 6.3.2.-
UniProt
O13033, Q1RLW7
Ligands
ZN
Pockets
20 · best druggability 0.87

Structure

electron microscopy · 7 distinct chains · 31% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, CV(D)J recombination-activating protein 1 (EC 3.1.-.-, 6.3.2.-)protein62247% helix, 11% strandO13033
B, DV(D)J recombination-activating protein 2protein3511% helix, 43% strandQ1RLW7
E12-rss signal end forward stranddna34——
FNicked 12-rss intermediate reverse stranddna50——
GNicked 23-rss intermediate reverse stranddna61——
HNicked 23-rss intermediate forward stranddna45——
I, J5'-D(P*GP*AP*TP*CP*TP*GP*GP*CP*CP*TP*GP*TP*CP*TP*TP*A)-3'dna16——

Ligands and binding sites

  • ZN · Zinc ion · metal · 2 copies · chains A, C

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16730.870.9178empty
25520.850.9164empty
34660.850.9249empty
41550.760.9429empty
57110.760.8167empty

Interfaces

23 interfaces between chains.

  • A–C · 3803 Ų buried · 32 hydrogen bonds · protein-protein
  • G–H · 2045 Ų buried · 216 hydrogen bonds · nucleic-nucleic
  • C–D · 1967 Ų buried · 29 hydrogen bonds · protein-protein
  • A–B · 1941 Ų buried · 24 hydrogen bonds · protein-protein
  • E–F · 1526 Ų buried · 160 hydrogen bonds · nucleic-nucleic

Compared structures

  • 3JBW · Cryo-electron microscopy structure of RAG Paired Complex (with NBD, no symmetry) · the same entry in another collection · chain J against J, TM-score 1.00
  • O13033 · AlphaFold monomer V2.0 prediction for V(D)J recombination-activating protein 1 (O13033) · a predicted model of the same protein · chain A against A, TM-score 0.98

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