Ni-bound crystal structure of the engineered cyt CB562 variant, AB2- H100A, crystallized in the presence of NI(II)

Structure

x-ray diffraction · 1 distinct chain · 78% helix, 0% strand (DSSP).

Ligands and binding sites

• HEC · Heme C · ligand · 2 copies · chains C, A
• NI · Nickel (II) ion · metal · chains C, 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, 2 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• C–A · 413 Ų buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 cofactor, 1 disulfide (heme c attachment, disulfide).

Compared structures

• 7N4F · Ni-bound crystal structure of the engineered cyt cb562 variant, AB2-H100A, crystallized… · the same entry in another collection · chain C against C, TM-score 1.00
• P0ABE7 · AlphaFold monomer V2.0 prediction for soluble cytochrome B562 (P0ABE7) · a predicted model of the same protein · chain C against A, TM-score 0.98

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt P0ABE7
• Elsewhere: RCSB PDB 7N4F · PDBe 7N4F · UniProt P0ABE7