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Cryo-EM structure of rag in complex with 12-rss and 23-rss substrate dnas

Analyse Cryo-EM structure of rag in complex with 12-rss and 23-rss substrate dnas in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6DBT
Type
protein + DNA
Length
2,152 residues
Chains
8
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Recombination activating gene 1 - mbp chimera; Recombination activating gene 2; Forward…
EC
2.3.2.27
UniProt
P0AEX9, O13033, Q1RLW7
Ligands
CA, ZN
Pockets
20 · best druggability 0.86

Structure

electron microscopy · 6 distinct chains · 32% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, CRecombination activating gene 1 - mbp chimera (EC 2.3.2.27)protein61450% helix, 10% strandP0AEX9, O13033
B, DRecombination activating gene 2protein3512% helix, 41% strandQ1RLW7
EForward strand of 12-rss substrate DNAdna50——
FReverse strand of 12-rss substrate DNAdna50——
GForward strand of 23-rss substrate DNAdna61——
HReverse strand of 23-rss substrate DNAdna61——

Ligands and binding sites

  • CA · Calcium ion · metal · 4 copies · chains A, F, C, H
  • 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
111190.860.8891empty
29500.830.8485empty
311910.830.8488empty
4830.710.9426empty
52450.700.8632empty

Interfaces

17 interfaces between chains.

  • A–C · 3305 Ų buried · 26 hydrogen bonds · protein-protein
  • G–H · 2753 Ų buried · 243 hydrogen bonds · nucleic-nucleic
  • E–F · 2239 Ų buried · 199 hydrogen bonds · nucleic-nucleic
  • A–B · 1795 Ų buried · 28 hydrogen bonds · protein-protein
  • C–D · 1788 Ų buried · 28 hydrogen bonds · protein-protein

Compared structures

  • 6DBT · Cryo-EM structure of RAG in complex with 12-RSS and 23-RSS substrate DNAs · the same entry in another collection · chain H against H, 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 0.85

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