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Crystal structure of a putative DNA damage-inducable (dinb) protein (BH3987) from bacillus halodurans at 1.42 a resolution

Analyse Crystal structure of a putative DNA damage-inducable (dinb) protein (BH3987)… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2F22
Type
protein
Length
285 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
BH3987
UniProt
Q9RC77
Ligands
NI, NA
Pockets
3 · best druggability 0.55

Structure

x-ray diffraction · 2 distinct chains · 64% helix, 7% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ABH3987protein14263% helix, 7% strandQ9RC77
BBH3987protein14364% helix, 7% strandQ9RC77

Ligands and binding sites

  • NI · Nickel (II) ion · metal · 2 copies · chains A, B
  • NA · Sodium ion · metal · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12990.550.7531empty
22450.550.7634empty
3650.400.8019empty

Interfaces

1 interface between chains.

  • A–B · 1273 Ų buried · 13 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 11 modified (engineered).

Compared structures

  • 2F22 · Crystal structure of a putative DNA damage-inducable (dinb) protein (BH3987) from… · the same entry in another collection · chain A against A, TM-score 1.00

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