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Improved NADPH-dependent Blue Fluorescent Protein

Analyse Improved NADPH-dependent Blue Fluorescent Protein in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3P19
Type
protein
Length
913 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
2.05
Source
Vibrio vulnificus
Molecule
Putative blue fluorescent protein
Ligands
NDP
Pockets
7 · best druggability 0.84

Structure

x-ray diffraction · resolution 2.05 · 3 distinct chains · 49% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APutative blue fluorescent proteinprotein23949% helix, 19% strand—
B, CPutative blue fluorescent proteinprotein21847% helix, 22% strand—
DPutative blue fluorescent proteinprotein23850% helix, 18% strand—

Ligands and binding sites

  • NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate · ligand · 4 copies · chains A, B, C, D

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

Pockets

7 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19210.840.8561empty
23740.800.8958NDP
33090.790.9045NDP
43990.740.8441NDP
54400.730.8354NDP

Interfaces

4 interfaces between chains.

  • A–B · 1555 Ų buried · 22 hydrogen bonds · protein-protein
  • C–D · 1547 Ų buried · 24 hydrogen bonds · protein-protein
  • A–C · 1367 Ų buried · 23 hydrogen bonds · protein-protein
  • B–D · 1345 Ų buried · 22 hydrogen bonds · protein-protein

Compared structures

  • 3P19 · Improved NADPH-dependent blue fluorescent protein · the same entry in another collection · chain A against A, TM-score 1.00

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