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Structure of sihf bound to an 8BP palindromic DNA

Analyse Structure of sihf bound to an 8BP palindromic DNA in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6BEK
Type
protein + DNA
Length
213 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
SCO1480; DNA (5'-D(*CP*AP*TP*GP*CP*AP*TP*G)-3')
UniProt
Q9KXR9
Ligands
K
Pockets
2 · best druggability 0.53

Structure

x-ray diffraction · 3 distinct chains · 66% helix, 2% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASCO1480protein9266% helix, 2% strandQ9KXR9
B, C, E, FDNA (5'-D(*CP*AP*TP*GP*CP*AP*TP*G)-3')dna8——
DSCO1480protein8965% helix, 2% strandQ9KXR9

Ligands and binding sites

  • K · Potassium ion · metal · 2 copies · chains A, D

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12490.530.7722empty
2560.290.7614empty

Interfaces

7 interfaces between chains.

  • E–F · 385 Ų buried · 30 hydrogen bonds · nucleic-nucleic
  • B–C · 380 Ų buried · 31 hydrogen bonds · nucleic-nucleic
  • A–C · 276 Ų buried · 10 hydrogen bonds · protein-nucleic
  • D–F · 273 Ų buried · 8 hydrogen bonds · protein-nucleic
  • A–B · 163 Ų buried · 2 hydrogen bonds · protein-nucleic

Compared structures

  • 6BEK · Structure of sIHF bound to an 8bp palindromic DNA · the same entry in another collection · chain A against A, TM-score 1.00

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