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MolNFT v1 · #68486 · protein

Crystal structure of putative phosphoheptose isomerase (YP_001815198.1) from exiguobacterium sp. 255-15 at 1.95 a resolution

3JX9: “Crystal structure of putative phosphoheptose isomerase (YP_001815198.1) from exiguobacterium sp. 255-15 at…”. X-ray diffraction, 1 ligand (CL), 1 pocket (best druggability 0.27). MolNFT v1 #68486 on GenesisL1: 3D structure, binding…

PDB
3JX9
Type
protein
Length
338 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Putative phosphoheptose isomerase
UniProt
B1YEL3
Ligands
CL
Pockets
1 · best druggability 0.27

Structure

x-ray diffraction · 1 distinct chain · 49% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BPutative phosphoheptose isomeraseprotein16949% helix, 15% strandB1YEL3

Ligands and binding sites

  • CL · Chloride ion · ion · 3 copies · chains A, B
  • GOL · Glycerol · additive · chains A

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1550.270.7417empty

Interfaces

1 interface between chains.

  • A–B · 1704 Ų buried · 7 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 modified (engineered).

Compared structures

  • 3JX9 · Crystal structure of Putative phosphoheptose isomerase (YP_001815198.1) from… · the same entry in another collection · chain A against A, TM-score 1.00

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