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MolNFT v1 · #188553 · protein

Reduced structure of rext

7TXN · Transcriptional regulator: “Reduced structure of rext”. X-ray diffraction, 1 ligand (CL), 1 pocket (best druggability 0.24). MolNFT v1 #188553 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7TXN
Type
protein
Length
209 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Transcriptional regulator
UniProt
Q8YVV6
Ligands
CL
Pockets
1 · best druggability 0.24

Structure

x-ray diffraction · 2 distinct chains · 53% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATranscriptional regulatorprotein10453% helix, 14% strandQ8YVV6
BTranscriptional regulatorprotein10552% helix, 15% strandQ8YVV6

Ligands and binding sites

  • CL · Chloride ion · ion · 3 copies · chains A, B
  • GOL · Glycerol · additive · 7 copies · chains A, B

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1530.240.7215empty

Interfaces

1 interface between chains.

  • A–B · 714 Ų buried · 1 hydrogen bond · protein-protein

Compared structures

  • 7TXN · Reduced Structure of RexT · the same entry in another collection · chain A against A, TM-score 1.00

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