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Crystal structure of fis bound to 27 bp optimal binding sequence F1

Analyse Crystal structure of fis bound to 27 bp optimal binding sequence F1 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3IV5
Type
protein + DNA
Length
243 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA-binding protein fis; DNA (27-mer)
UniProt
P0A6R3
Pockets
5 · best druggability 0.63

Structure

x-ray diffraction · 4 distinct chains · 57% helix, 11% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA-binding protein fisprotein9158% helix, 11% strandP0A6R3
BDNA-binding protein fisprotein9856% helix, 10% strandP0A6R3
CDNA (27-mer)dna27——
DDNA (27-mer)dna27——

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14420.630.7738empty
21620.440.7525empty
31530.420.7430empty
4900.370.7616empty
5670.280.7415empty

Interfaces

6 interfaces between chains.

  • A–B · 2320 Ų buried · 26 hydrogen bonds · protein-protein
  • C–D · 1164 Ų buried · 108 hydrogen bonds · nucleic-nucleic
  • B–C · 288 Ų buried · 11 hydrogen bonds · protein-nucleic
  • A–D · 281 Ų buried · 10 hydrogen bonds · protein-nucleic
  • A–C · 252 Ų buried · 6 hydrogen bonds · protein-nucleic

Compared structures

  • 3IV5 · Crystal structure of Fis bound to 27 bp optimal binding sequence F1 · 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 A against A, TM-score 0.93

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