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MolNFT v1 · #72952 · protein

Crystal structure of a tetr-family transcriptional regulator (MAQU_3571) from marinobacter aquaeolei VT8 at 2.49 a resolution

3NNR · Transcriptional regulator, tetr family: “Crystal structure of a tetr-family transcriptional regulator (MAQU_3571) from marinobacter aquaeolei VT8 at…”. X-ray diffraction, 2 ligands (UNL, SO4), 1 pocket (best druggability 0.82).…

PDB
3NNR
Type
protein
Length
203 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Transcriptional regulator, tetr family
UniProt
A1U6M1
Ligands
UNL, SO4
Pockets
1 · best druggability 0.82

Structure

x-ray diffraction · 1 distinct chain · 79% helix, 1% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATranscriptional regulator, tetr familyprotein20379% helix, 1% strandA1U6M1

Ligands and binding sites

  • UNL · Unknown ligand · ligand · chains A
  • SO4 · Sulfate ion · ion · 2 copies · chains A

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
11650.820.9731UNL

Modifications

Observed in the structure: 4 modified (engineered).

Compared structures

  • 3NNR · Crystal structure of a TetR-family transcriptional regulator (Maqu_3571) from… · the same entry in another collection · chain A against A, TM-score 1.00

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