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Structure of pseudomonas fluorescence lapd eal domain complexed with C-di-gmp, P6522

Analyse Structure of pseudomonas fluorescence lapd eal domain complexed with C-di-gmp… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3PJU
Type
protein
Length
249 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cyclic dimeric gmp binding protein
UniProt
Q3KK31
Ligands
C2E
Pockets
2 · best druggability 0.64

Structure

x-ray diffraction · 1 distinct chain · 49% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACyclic dimeric gmp binding proteinprotein24949% helix, 20% strandQ3KK31

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 · 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12850.640.8137C2E
21330.430.7621empty

Compared structures

  • 3PJU · Structure of Pseudomonas fluorescence LapD EAL domain complexed with c-di-GMP, P6522 · the same entry in another collection · chain A against A, TM-score 1.00

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