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MolNFT v1 · #186913 · protein

Endolysin from escherichia COLI O157:H7 phage FTEBC1, LYST84

7RUM: “Endolysin from escherichia COLI O157:H7 phage FTEBC1, LYST84”. X-ray diffraction, 4 pockets (best druggability 0.65). MolNFT v1 #186913 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7RUM
Type
protein
Length
524 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Endolysin
UniProt
A0A7S9SQH6
Pockets
4 · best druggability 0.65

Structure

x-ray diffraction · 2 distinct chains · 58% helix, 6% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AEndolysinprotein26357% helix, 5% strandA0A7S9SQH6
BEndolysinprotein26159% helix, 6% strandA0A7S9SQH6

Ligands and binding sites

  • GOL · Glycerol · additive · 4 copies · chains A, B

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

Pockets

4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11810.650.8531GOL
21440.560.8220GOL
3520.290.7412empty
4670.280.7318empty

Interfaces

1 interface between chains.

  • A–B · 188 Ų buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 7RUM · Endolysin from Escherichia coli O157:H7 phage FTEbC1, LysT84 · the same entry in another collection · chain A against A, TM-score 1.00

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