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Nucleoside diphosphate kinase isoform B from bovine retina

Analyse Nucleoside diphosphate kinase isoform B from bovine retina in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1BE4
Type
protein
Length
453 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Nucleoside diphosphate transferase
EC
2.7.4.6
UniProt
P52175
Ligands
PCG
Pockets
7 · best druggability 0.68

Structure

x-ray diffraction · 1 distinct chain · 47% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, CNucleoside diphosphate transferase (EC 2.7.4.6)protein15147% helix, 19% strandP52175

Ligands and binding sites

  • PCG · Cyclic guanosine monophosphate · ligand · 3 copies · chains A, B, C

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13240.680.8245empty
21800.500.7731PCG
31960.490.7627PCG
41650.470.7736empty
51510.450.7625PCG

Interfaces

3 interfaces between chains.

  • A–C · 821 Ų buried · 11 hydrogen bonds · protein-protein
  • A–B · 819 Ų buried · 8 hydrogen bonds · protein-protein
  • B–C · 802 Ų buried · 9 hydrogen bonds · protein-protein

Compared structures

  • 1BE4 · Nucleoside diphosphate kinase isoform B from bovine retina · the same entry in another collection · chain A against A, TM-score 1.00
  • P52175 · AlphaFold monomer V2.0 prediction for nucleoside diphosphate kinase a 2 (P52175) · a predicted model of the same protein · chain A against A, TM-score 0.99

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