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MolNFT v1 · #80233 · protein

Structure of the transcriptional regulator of the gntr family, from coxiella burnetii.

3TQN · Transcriptional regulator, gntr family: “Structure of the transcriptional regulator of the gntr family, from coxiella burnetii.”. X-ray diffraction, 5 pockets (best druggability 0.47). MolNFT v1 #80233 on GenesisL1: 3D structure…

PDB
3TQN
Type
protein
Length
314 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Transcriptional regulator, gntr family
UniProt
Q83DG1
Pockets
5 · best druggability 0.47

Structure

x-ray diffraction · 3 distinct chains · 47% helix, 8% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATranscriptional regulator, gntr familyprotein10749% helix, 9% strandQ83DG1
BTranscriptional regulator, gntr familyprotein10851% helix, 8% strandQ83DG1
CTranscriptional regulator, gntr familyprotein9941% helix, 6% strandQ83DG1

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12160.470.7431empty
21410.460.7725empty
3560.380.7912empty
4710.380.7716empty
5800.330.7416empty

Interfaces

2 interfaces between chains.

  • A–C · 632 Ų buried · 1 hydrogen bond · protein-protein
  • A–B · 614 Ų buried · 7 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 10 modified (engineered).

Compared structures

  • 3TQN · Structure of the transcriptional regulator of the GntR family, from Coxiella burnetii. · the same entry in another collection · chain A against A, TM-score 1.00

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