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MolNFT v1 · #96417 · protein

High resolution structure of a C-terminal fragment of the T4 phage GP5 beta-helix

4JJ2 · Tail-associated lysozyme: “High resolution structure of a C-terminal fragment of the T4 phage GP5 beta-helix”. X-ray diffraction, 4 ligands (ELA, PLM, STE), 1 pocket (best druggability 0.85). MolNFT v1 #96417 on GenesisL1: 3D…

PDB
4JJ2
Type
protein
Length
276 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Tail-associated lysozyme
EC
3.2.1.17
UniProt
P16009
Ligands
ELA, PLM, STE, MG
Pockets
1 · best druggability 0.85

Structure

x-ray diffraction · 1 distinct chain · 0% helix, 66% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, CTail-associated lysozyme (EC 3.2.1.17)protein920% helix, 66% strandP16009

Ligands and binding sites

  • ELA · 9-octadecenoic acid · ligand · chains A, B, C
  • PLM · Palmitic acid · ligand · chains A, B, C
  • STE · Stearic acid · ligand · chains A, B, C
  • MG · Magnesium ion · metal · chains A, B, C

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
110690.850.8575ELA, PLM, STE

Interfaces

3 interfaces between chains.

  • B–C · 3719 Ų buried · 108 hydrogen bonds · protein-protein
  • A–B · 3693 Ų buried · 111 hydrogen bonds · protein-protein
  • A–C · 3680 Ų buried · 105 hydrogen bonds · protein-protein

Compared structures

  • 4JJ2 · High resolution structure of a C-terminal fragment of the T4 phage gp5 beta-helix · the same entry in another collection · chain A against A, TM-score 1.00

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