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Crystal structure of a putative oligo-nucleotide binding protein (ATU3699, AGR_L_2275) from agrobacterium tumefaciens str. C58 at 1.60 a resolution

Analyse Crystal structure of a putative oligo-nucleotide binding protein (ATU3699… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1VKI
Type
protein
Length
331 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Hypothetical protein ATU3699
UniProt
Q8U9M7
Ligands
SO4
Pockets
2 · best druggability 0.83

Structure

x-ray diffraction · 2 distinct chains · 31% helix, 26% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHypothetical protein ATU3699protein16531% helix, 26% strandQ8U9M7
BHypothetical protein ATU3699protein16631% helix, 26% strandQ8U9M7

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 2 copies · chains A, B
  • GOL · Glycerol · additive · 4 copies · 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19050.830.8575SO4, GOL
2580.260.7313empty

Interfaces

1 interface between chains.

  • A–B · 990 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

  • 1VKI · Crystal structure of a putative oligo-nucleotide binding protein (atu3699, agr_l_2275)… · the same entry in another collection · chain A against A, TM-score 1.00

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