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Crystal structure of ternary DNA complex "FX2" containing E. COLI fis and phage lambda xis

Analyse Crystal structure of ternary DNA complex "FX2" containing E. COLI fis and phage… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6P0S
Type
protein + DNA
Length
271 residues
Chains
5
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA-binding protein fis; DNA (27-mer), FX1-2; Excisionase
UniProt
P0A6R3, P03699
Pockets
6 · best druggability 0.62

Structure

x-ray diffraction · 5 distinct chains · 55% helix, 10% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA-binding protein fisprotein8363% helix, 5% strandP0A6R3
BDNA-binding protein fisprotein8263% helix, 5% strandP0A6R3
CDNA (27-mer), FX1-2dna27——
DDNA (27-mer), FX1-2dna27——
EExcisionaseprotein5229% helix, 27% strandP03699

Pockets

6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14290.620.7735empty
22560.610.8139empty
3520.390.8111empty
4810.370.7715empty
5850.310.7416empty

Interfaces

9 interfaces between chains.

  • A–B · 2106 Ų buried · 17 hydrogen bonds · protein-protein
  • C–D · 1202 Ų buried · 111 hydrogen bonds · nucleic-nucleic
  • C–E · 448 Ų buried · 11 hydrogen bonds · protein-nucleic
  • D–E · 431 Ų buried · 7 hydrogen bonds · protein-nucleic
  • B–D · 297 Ų buried · 4 hydrogen bonds · protein-nucleic

Compared structures

  • 6P0S · Crystal structure of ternary DNA complex FX2" containing E. coli Fis and phage lambda Xis" · the same entry in another collection · chain B against B, TM-score 1.00
  • P0A6R3 · AlphaFold monomer V2.0 prediction for DNA-binding protein fis (P0A6R3) · a predicted model of the same protein · chain A against A, TM-score 0.96

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