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Nikr with bound nickel and phosphate

Analyse Nikr with bound nickel and phosphate in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2BJ9
Type
protein
Length
271 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Nickel responsive regulator
UniProt
O58316
Ligands
NI, PO4
Pockets
2 · best druggability 0.70

Structure

x-ray diffraction · 2 distinct chains · 39% helix, 35% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANickel responsive regulatorprotein13338% helix, 36% strandO58316
BNickel responsive regulatorprotein13840% helix, 35% strandO58316

Ligands and binding sites

  • NI · Nickel (II) ion · metal · 5 copies · chains A, B
  • PO4 · Phosphate ion · ion · 2 copies · chains A, B
  • PG4 · Tetraethylene glycol · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13750.700.8244empty
21010.390.7615empty

Interfaces

1 interface between chains.

  • A–B · 3294 Ų buried · 29 hydrogen bonds · protein-protein

Compared structures

  • 2BJ9 · NIKR with bound NICKEL and phosphate · the same entry in another collection · chain A against A, TM-score 1.00
  • O58316 · AlphaFold monomer V2.0 prediction for putative nickel-responsive regulator (O58316) · a predicted model of the same protein · chain B against A, TM-score 0.97

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