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Crystal structure of ternary DNA complex "FX(1-2)-1XIS" containing E. COLI fis and phage lambda xis

Analyse Crystal structure of ternary DNA complex "FX(1-2)-1XIS" containing E. COLI fis… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6P0T
Type
protein + DNA
Length
274 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 0.61

Structure

x-ray diffraction · 5 distinct chains · 55% helix, 11% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
BDNA-binding protein fisprotein8364% helix, 5% strandP0A6R3
ADNA-binding protein fisprotein8562% helix, 7% strandP0A6R3
CDNA (27-mer), FX1-2dna27——
DDNA (27-mer), FX1-2dna27——
EExcisionaseprotein5231% helix, 29% strandP03699

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14040.610.7734empty
22010.580.8134empty
31270.390.7420empty
4690.300.7413empty
5550.270.7411empty

Interfaces

9 interfaces between chains.

  • B–A · 2130 Ų buried · 21 hydrogen bonds · protein-protein
  • C–D · 1210 Ų buried · 109 hydrogen bonds · nucleic-nucleic
  • C–E · 448 Ų buried · 9 hydrogen bonds · protein-nucleic
  • D–E · 428 Ų buried · 7 hydrogen bonds · protein-nucleic
  • B–C · 302 Ų buried · 10 hydrogen bonds · protein-nucleic

Compared structures

  • 6P0T · Crystal structure of ternary DNA complex FX(1-2)-1Xis" containing E. coli Fis and phage… · the same entry in another collection · chain A against A, TM-score 1.00
  • P0A6R3 · AlphaFold monomer V2.0 prediction for DNA-binding protein fis (P0A6R3) · a predicted model of the same protein · chain B against A, TM-score 0.95

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