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Crystal structure of putative TetR family transcriptional regulator, Fad35R, from Mycobacterium tuberculosis

Analyse Crystal structure of putative TetR family transcriptional regulator, Fad35R… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4G12
Type
protein
Length
384 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
3.44
Source
Mycobacterium tuberculosis
Molecule
Probable transcriptional regulatory protein (Probably TETR-FAMILY)
UniProt
O06169
Pockets
2 · best druggability 0.79

Structure

x-ray diffraction · resolution 3.44 · 1 distinct chain · 76% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BProbable transcriptional regulatory protein (Probably TETR-FAMILY)protein19276% helix, 0% strandO06169

Ligands and binding sites

  • GOL · Glycerol · additive · 2 copies · chains A, B

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

Pockets

2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111720.790.8194GOL
21480.520.7934empty

Interfaces

1 interface between chains.

  • A–B · 1202 Ų buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 modified (engineered).

Compared structures

  • 4G12 · Crystal structure of putative tetr family transcriptional regulator, FAD35R, from… · the same entry in another collection · chain A against A, TM-score 1.00

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