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MolNFT v1 · #106659 · protein

Monoclinic crystal structure of eutl from clostridium perfringens

4TLH · Ethanolamine utilization protein eutl: “Monoclinic crystal structure of eutl from clostridium perfringens”. X-ray diffraction, 2 ligands (NA, CL), 6 pockets (best druggability 0.48). MolNFT v1 #106659 on GenesisL1: 3D structure…

PDB
4TLH
Type
protein
Length
653 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ethanolamine utilization protein eutl
UniProt
B1BQ33
Ligands
NA, CL
Pockets
6 · best druggability 0.48

Structure

x-ray diffraction · 3 distinct chains · 36% helix, 28% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AEthanolamine utilization protein eutlprotein22037% helix, 27% strandB1BQ33
BEthanolamine utilization protein eutlprotein21736% helix, 28% strandB1BQ33
CEthanolamine utilization protein eutlprotein21635% helix, 28% strandB1BQ33

Ligands and binding sites

  • NA · Sodium ion · metal · 2 copies · chains A, B, C
  • CL · Chloride ion · ion · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11290.480.7921empty
21230.480.7924empty
31290.460.7822empty
41120.460.7921empty
51080.450.7921empty

Interfaces

3 interfaces between chains.

  • A–B · 1547 Ų buried · 14 hydrogen bonds · protein-protein
  • B–C · 1542 Ų buried · 15 hydrogen bonds · protein-protein
  • A–C · 1404 Ų buried · 13 hydrogen bonds · protein-protein

Compared structures

  • 4TLH · Monoclinic Crystal Structure of EutL from Clostridium Perfringens · the same entry in another collection · chain A against A, TM-score 1.00

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