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Structure of two rcsb dimers bound to two parallel dnas.

Analyse Structure of two rcsb dimers bound to two parallel dnas. in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5VXN
Type
protein + DNA
Length
864 residues
Chains
8
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Transcriptional regulatory protein rcsb; DNA (5'…
UniProt
P0DMC7
Pockets
14 · best druggability 0.80

Structure

x-ray diffraction · 6 distinct chains · 47% helix, 13% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATranscriptional regulatory protein rcsbprotein20148% helix, 13% strandP0DMC7
BTranscriptional regulatory protein rcsbprotein19147% helix, 14% strandP0DMC7
E, GDNA (5'- D(*TP*TP*TP*AP*GP*GP*AP*AP*AP*AP*AP*TP*CP*TP*TP*AP*GP*A)-3')dna18——
F, HDNA (5'- D(*GP*AP*TP*TP*TP*AP*GP*GP*AP*AP*AP*AP*AP*TP*CP*TP*TP*AP*GP*AP*TP*A)- 3')dna18——
CTranscriptional regulatory protein rcsbprotein20347% helix, 13% strandP0DMC7
DTranscriptional regulatory protein rcsbprotein19747% helix, 12% strandP0DMC7

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19730.800.8286empty
210350.760.7974empty
35950.730.8150empty
44320.720.8339empty
52820.590.7840empty

Interfaces

17 interfaces between chains.

  • C–D · 1020 Ų buried · 0 hydrogen bonds · protein-protein
  • A–B · 943 Ų buried · 1 hydrogen bond · protein-protein
  • E–F · 770 Ų buried · 51 hydrogen bonds · nucleic-nucleic
  • G–H · 766 Ų buried · 50 hydrogen bonds · nucleic-nucleic
  • B–F · 401 Ų buried · 11 hydrogen bonds · protein-nucleic

Compared structures

  • 5VXN · Structure of two RcsB dimers bound to two parallel DNAs. · the same entry in another collection · chain H against H, TM-score 1.00
  • P0DMC7 · AlphaFold monomer V2.0 prediction for transcriptional regulatory protein rcsb (P0DMC7) · a predicted model of the same protein · chain A against A, TM-score 0.86

Analyse

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