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Crystal structure of the HK97 bacteriophage small terminase

Analyse Crystal structure of the HK97 bacteriophage small terminase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6Z6E
Type
protein
Length
307 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
1.4
Source
Enterobacteria phage HK97
Molecule
Terminase small subunit
UniProt
Q9MBW4
Ligands
IOD
Pockets
3 · best druggability 0.57

Structure

x-ray diffraction · resolution 1.4 · 3 distinct chains · 72% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATerminase small subunitprotein10471% helix, 0% strandQ9MBW4
BTerminase small subunitprotein10273% helix, 0% strandQ9MBW4
CTerminase small subunitprotein10173% helix, 0% strandQ9MBW4

Ligands and binding sites

  • IOD · Iodide ion · ion · 9 copies · chains A, B, C

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1880.570.8622IOD
2670.560.8820IOD
3610.280.7414empty

Interfaces

2 interfaces between chains.

  • B–C · 1310 Ų buried · 34 hydrogen bonds · protein-protein
  • A–B · 1296 Ų buried · 35 hydrogen bonds · protein-protein

Compared structures

  • 6Z6E · Crystal structure of the HK97 bacteriophage small terminase · the same entry in another collection · chain A against A, TM-score 1.00

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