Human histidine triad nucleotide binding protein 1 (HHINT1) H112N mutant adenosine nucleoside phosphoramidate substrate complex

Structure

x-ray diffraction · 2 distinct chains · 29% helix, 25% strand (DSSP).

Ligands and binding sites

• 6UR · [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{N}-[2-(1~{H}-indol-3-yl)ethyl]phosphonamidic acid · ligand · chains A, B
• CL · Chloride ion · ion · chains B
• PEG · Di(hydroxyethyl)ether · additive · chains A, B

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

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 1994 Ų buried · 43 hydrogen bonds · protein-protein

Compared structures

• 5KLY · Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) H112N mutant adenosine… · the same entry in another collection · chain A against A, TM-score 1.00

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 P49773
• Elsewhere: RCSB PDB 5KLY · PDBe 5KLY · UniProt P49773