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Crystal structure of a putative pii-like signaling protein (YP_323533.1) from anabaena variabilis atcc 29413 at 2.35 a resolution

Analyse Crystal structure of a putative pii-like signaling protein (YP_323533.1) from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3DFE
Type
protein
Length
490 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Putative pii-like signaling protein
UniProt
Q3M8P8
Pockets
7 · best druggability 0.75

Structure

x-ray diffraction · 5 distinct chains · 36% helix, 44% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APutative pii-like signaling proteinprotein8235% helix, 45% strandQ3M8P8
B, DPutative pii-like signaling proteinprotein8335% helix, 46% strandQ3M8P8
CPutative pii-like signaling proteinprotein8136% helix, 44% strandQ3M8P8
EPutative pii-like signaling proteinprotein8137% helix, 42% strandQ3M8P8
FPutative pii-like signaling proteinprotein8035% helix, 41% strandQ3M8P8

Ligands and binding sites

  • EDO · 1,2-ethanediol · additive · chains A, C
  • IPA · Isopropyl alcohol · additive · chains A, 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
19600.750.7974empty
21740.520.7832empty
31180.470.7923empty
41200.460.7820empty
51310.450.7724empty

Interfaces

9 interfaces between chains.

  • A–B · 721 Ų buried · 14 hydrogen bonds · protein-protein
  • D–E · 716 Ų buried · 13 hydrogen bonds · protein-protein
  • D–F · 711 Ų buried · 15 hydrogen bonds · protein-protein
  • A–C · 707 Ų buried · 15 hydrogen bonds · protein-protein
  • E–F · 704 Ų buried · 14 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 modified (engineered).

Compared structures

  • 3DFE · Crystal structure of a Putative Pii-Like Signaling Protein (YP_323533.1) from ANABAENA… · the same entry in another collection · chain A against A, TM-score 1.00

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