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MolNFT v1 · #159794 · protein

Transcription antitermination factor Q21

6P1B · Q protein: “Transcription antitermination factor Q21”. X-ray diffraction, 1 ligand (CL), 3 pockets (best druggability 0.65). MolNFT v1 #159794 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6P1B
Type
protein
Length
296 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Q protein
UniProt
Q9XJQ6
Ligands
CL
Pockets
3 · best druggability 0.65

Structure

x-ray diffraction · 2 distinct chains · 69% helix, 7% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AQ proteinprotein15067% helix, 7% strandQ9XJQ6
BQ proteinprotein14671% helix, 7% strandQ9XJQ6

Ligands and binding sites

  • CL · Chloride ion · ion · 9 copies · chains A, B
  • EDO · 1,2-ethanediol · additive · 4 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
15210.650.7642empty
21760.480.7726empty
3650.290.7316empty

Interfaces

1 interface between chains.

  • A–B · 300 Ų buried · 4 hydrogen bonds · protein-protein

Compared structures

  • 6P1B · Transcription antitermination factor Q21 · the same entry in another collection · chain A against A, TM-score 1.00

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