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Degenerate rvd rg forms a distinct loop conformation

Analyse Degenerate rvd rg forms a distinct loop conformation in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6JW3
Type
protein + DNA
Length
2,124 residues
Chains
12
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Tal effector; DNA (5'-D(*TP*GP*TP*CP*CP*CP*TP*TP*(5CM) P*GP*CP*GP*TP*CP*TP*CP*T)-3'); DNA…
Pockets
20 · best druggability 0.80

Structure

x-ray diffraction · 3 distinct chains · 71% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, E, HTal effectorprotein49771% helix, 0% strand—
I, C, F, KDNA (5'-D(*TP*GP*TP*CP*CP*CP*TP*TP*(5CM) P*GP*CP*GP*TP*CP*TP*CP*T)-3')dna17——
J, D, G, LDNA (5'- D(*AP*GP*AP*GP*AP*CP*GP*CP*GP*AP*AP*GP*GP*GP*AP*CP*A)-3')dna17——

Pockets

20 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111060.800.82102empty
28700.800.8391empty
310650.800.81105empty
411680.780.80120empty
52380.540.7733empty

Interfaces

20 interfaces between chains.

  • E–F · 1707 Ų buried · 26 hydrogen bonds · protein-nucleic
  • B–C · 1706 Ų buried · 29 hydrogen bonds · protein-nucleic
  • H–K · 1703 Ų buried · 24 hydrogen bonds · protein-nucleic
  • A–I · 1693 Ų buried · 25 hydrogen bonds · protein-nucleic
  • B–E · 805 Ų buried · 8 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 modified (nucleotide modification).

Compared structures

  • 6JW3 · Degenerate RVD RG forms a distinct loop conformation · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

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