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MolNFT v1 · #159669 · protein

Crystal structure of the complex between the type VI effector TAS1 and its immunity protein

6OX6: “Crystal structure of the complex between the type VI effector TAS1 and its immunity protein”. X-ray diffraction, 3 pockets (best druggability 0.69). MolNFT v1 #159669 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6OX6
Type
protein
Length
270 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
TAS1; PA14_01140
UniProt
A0A232D9K2, A0A090A233
Pockets
3 · best druggability 0.69

Structure

x-ray diffraction · 2 distinct chains · 46% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATAS1protein19452% helix, 15% strandA0A232D9K2
BPA14_01140protein7630% helix, 28% strandA0A090A233

Ligands and binding sites

  • ACT · Acetate ion · additive · 7 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14040.690.8147ACT
21200.420.7623empty
3550.240.7215empty

Interfaces

1 interface between chains.

  • A–B · 1376 Ų buried · 27 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 modified (engineered).

Compared structures

  • 6OX6 · Crystal structure of the complex between the Type VI effector Tas1 and its immunity… · the same entry in another collection · chain A against A, TM-score 1.00

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