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ARBITRIUM PEPTIDE RECEPTOR FROM SPBETA PHAGE in complex with 43 mer DNA

Analyse ARBITRIUM PEPTIDE RECEPTOR FROM SPBETA PHAGE in complex with 43 mer DNA in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6HP7
Type
protein + DNA
Length
858 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
2.2
Source
Bacillus subtilis (strain 168); SYNTHETIC CONSTRUCT
Molecule
SPBc2 prophage-derived uncharacterized protein YopK; DNA (43-mer)
UniProt
O31927
Ligands
PO4
Pockets
15 · best druggability 0.70

Structure

x-ray diffraction · resolution 2.2 · 3 distinct chains · 72% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BSPBc2 prophage-derived uncharacterized protein YopKprotein38672% helix, 0% strandO31927
CDNA (43-mer)dna43——
DDNA (43-mer)dna43——

Ligands and binding sites

  • PO4 · Phosphate ion · ion · 6 copies · chains A, C, B, D

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

Pockets

15 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16170.700.7859empty
26860.690.7746empty
35730.650.7650PO4
44900.630.7639empty
54290.620.7636empty

Interfaces

6 interfaces between chains.

  • C–D · 1898 Ų buried · 171 hydrogen bonds · nucleic-nucleic
  • A–B · 1430 Ų buried · 7 hydrogen bonds · protein-protein
  • A–C · 618 Ų buried · 12 hydrogen bonds · protein-nucleic
  • B–D · 612 Ų buried · 11 hydrogen bonds · protein-nucleic
  • B–C · 476 Ų buried · 14 hydrogen bonds · protein-nucleic

Compared structures

  • 6HP7 · Arbitrium peptide receptor from spbeta phage in complex with 43 mer DNA · the same entry in another collection · chain A against A, TM-score 1.00
  • O31927 · AlphaFold monomer V2.0 prediction for spbeta prophage-derived uncharacterized protein… · a predicted model of the same protein · chain A against A, TM-score 0.95

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