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T4 lysozyme L99A with N-pentylbenzene bound

Analyse T4 lysozyme L99A with N-pentylbenzene bound in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4W58
Type
protein
Length
165 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Endolysin
EC
3.2.1.17
UniProt
P00720
Ligands
3H2
Pockets
1 · best druggability 0.68

Structure

x-ray diffraction · 1 distinct chain · 64% helix, 9% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AEndolysin (EC 3.2.1.17)protein16564% helix, 9% strandP00720

Ligands and binding sites

  • 3H2 · pentylbenzene · ligand · chains A
  • EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13680.680.81473H2, EPE

Compared structures

  • 4W58 · T4 Lysozyme L99A with n-Pentylbenzene Bound · the same entry in another collection · chain A against A, TM-score 1.00

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