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Crystal structure of the bdellovibrio bacteriovorus nucleoside diphosphate sugar hydrolase

Analyse Crystal structure of the bdellovibrio bacteriovorus nucleoside diphosphate… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5C7Q
Type
protein
Length
362 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Nudf protein
EC
3.6.1.13
UniProt
Q6MIH8
Ligands
SO4
Pockets
3 · best druggability 0.76

Structure

x-ray diffraction · 2 distinct chains · 21% helix, 44% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANudf protein (EC 3.6.1.13)protein18221% helix, 43% strandQ6MIH8
BNudf protein (EC 3.6.1.13)protein18020% helix, 44% strandQ6MIH8

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 6 copies · chains A, B
  • GOL · Glycerol · additive · 9 copies · chains A, B
  • PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A, B
  • PG0 · 2-(2-methoxyethoxy)ethanol · additive · 2 copies · chains A, B
  • PGE · Triethylene glycol · additive · 2 copies · chains A, B

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
14320.760.8545SO4, GOL
24760.740.8349SO4, GOL
3520.400.8113PGE

Interfaces

1 interface between chains.

  • A–B · 3191 Ų buried · 36 hydrogen bonds · protein-protein

Compared structures

  • 5C7Q · Crystal Structure of the Bdellovibrio bacteriovorus Nucleoside Diphosphate Sugar Hydrolase · the same entry in another collection · chain A against A, TM-score 1.00

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