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Escherichia COLI replication terminator protein (tus) complexed with DNA- locked form

Analyse Escherichia COLI replication terminator protein (tus) complexed with DNA… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2EWJ
Type
protein + DNA
Length
331 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
5'-D(*T*TP*AP*GP*TP*TP*AP*CP*AP*AP*CP*AP*TP*AP*CP*T)-3'…
UniProt
P16525
Ligands
IOD
Pockets
6 · best druggability 0.62

Structure

x-ray diffraction · 3 distinct chains · 39% helix, 27% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
B5'-D(*T*TP*AP*GP*TP*TP*AP*CP*AP*AP*CP*AP*TP*AP*CP*T)-3'dna14——
C5'-D(*TP*G*AP*TP*AP*TP*GP*TP*TP*GP*TP*AP*AP*CP*TP*A)-3'dna12——
ADNA replication terminus site-binding proteinprotein30539% helix, 27% strandP16525

Ligands and binding sites

  • IOD · Iodide ion · ion · 3 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11830.620.8333empty
23660.590.7625IOD
31040.420.7720empty
41040.400.7714empty
5790.340.7615empty

Interfaces

3 interfaces between chains.

  • B–A · 1716 Ų buried · 28 hydrogen bonds · protein-nucleic
  • C–A · 1186 Ų buried · 16 hydrogen bonds · protein-nucleic
  • B–C · 528 Ų buried · 38 hydrogen bonds · nucleic-nucleic

Compared structures

  • 2EWJ · Escherichia Coli Replication Terminator Protein (Tus) Complexed With DNA- Locked form · the same entry in another collection · chain B against B, TM-score 1.00
  • P16525 · AlphaFold monomer V2.0 prediction for DNA replication terminus site- binding protein… · a predicted model of the same protein · chain A against A, TM-score 0.99

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