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MolNFT v1 · #161744 · protein

Crystal structure of the site-specific DNA nickase N.BSPD6I E418A mutant

6QNZ · Heterodimeric restriction endonuclease R.BSPD6I large…: “Crystal structure of the site-specific DNA nickase N.BSPD6I E418A mutant”. X-ray diffraction, 1 ligand (PO4), 17 pockets (best druggability 0.76). MolNFT v1 #161744 on…

PDB
6QNZ
Type
protein
Length
1,142 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Heterodimeric restriction endonuclease R.BSPD6I large subunit
UniProt
A3FEV7
Ligands
PO4
Pockets
17 · best druggability 0.76

Structure

x-ray diffraction · 2 distinct chains · 62% helix, 9% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHeterodimeric restriction endonuclease R.BSPD6I large subunitprotein57562% helix, 10% strandA3FEV7
BHeterodimeric restriction endonuclease R.BSPD6I large subunitprotein56762% helix, 9% strandA3FEV7

Ligands and binding sites

  • PO4 · Phosphate ion · ion · 5 copies · chains A, B
  • GOL · Glycerol · additive · 2 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16730.760.8171PO4
27180.750.8177GOL, PO4
33380.550.7533empty
42840.520.7431empty
5760.510.8521empty

Interfaces

1 interface between chains.

  • A–B · 296 Ų buried · 7 hydrogen bonds · protein-protein

Compared structures

  • 6QNZ · Crystal structure of the site-specific DNA nickase N.BspD6I E418A Mutant · the same entry in another collection · chain A against A, TM-score 1.00

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