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MolNFT v1 · #85811 · protein

Crystal structure geobacillus thermodenitrificans essb cytoplasmic fragment

4ANO: “Crystal structure geobacillus thermodenitrificans essb cytoplasmic fragment”. X-ray diffraction, 2 ligands (NA, CL), 2 pockets (best druggability 0.52). MolNFT v1 #85811 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
4ANO
Type
protein
Length
209 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Essb
UniProt
A4IKE6
Ligands
NA, CL
Pockets
2 · best druggability 0.52

Structure

x-ray diffraction · 1 distinct chain · 44% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AEssbprotein20944% helix, 18% strandA4IKE6

Ligands and binding sites

  • NA · Sodium ion · metal · chains A
  • CL · Chloride ion · ion · 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
1970.520.8321empty
21070.360.7417empty

Modifications

Observed in the structure: 3 modified (engineered).

Compared structures

  • 4ANO · Crystal Structure Geobacillus thermodenitrificans EssB cytoplasmic fragment · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

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