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Crystal structure of a fusion protein containing the leucine zipper of GCN4 and the ggdef domain of wspr from pseudomonas aeruginosa

Analyse Crystal structure of a fusion protein containing the leucine zipper of GCN4 and… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3I5C
Type
protein
Length
394 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Fusion of general control protein GCN4 and wspr response regulator protein
UniProt
P03069, Q9HXT9
Ligands
C2E, MG
Pockets
2 · best druggability 0.64

Structure

x-ray diffraction · 2 distinct chains · 52% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AFusion of general control protein GCN4 and wspr response regulator proteinprotein19652% helix, 19% strandP03069, Q9HXT9
BFusion of general control protein GCN4 and wspr response regulator proteinprotein19853% helix, 18% strandP03069, Q9HXT9

Ligands and binding sites

  • C2E · 9,9'-[(2r,3r,3as,5s,7ar,9r,10r,10as,12s,14ar)-3,5,10, 12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3, 2-D:3',2'-J][1,3,7,9,2, 8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one) · ligand · 4 copies · chains A, B
  • MG · Magnesium ion · metal · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15050.640.7747empty
21500.560.8222empty

Interfaces

1 interface between chains.

  • A–B · 1475 Ų buried · 17 hydrogen bonds · protein-protein

Compared structures

  • 3I5C · Crystal structure of a fusion protein containing the leucine zipper of GCN4 and the GGDEF… · the same entry in another collection · chain A against A, TM-score 1.00
  • P03069 · AlphaFold monomer V2.0 prediction for general control transcription factor GCN4 (P03069) · a predicted model of the same protein · chain B against A, TM-score 0.22

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