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Crystal structure of the DNA-binding protein RemA from Geobacillus thermodenitrificans

Analyse Crystal structure of the DNA-binding protein RemA from Geobacillus… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7BM2
Type
protein
Length
314 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
2.29
Source
Geobacillus thermodenitrificans NG80-2
Molecule
Putative regulatory protein GTNG_1019
UniProt
A4IM41
Ligands
SO4
Pockets
2 · best druggability 0.38

Structure

x-ray diffraction · resolution 2.29 · 3 distinct chains · 28% helix, 29% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APutative regulatory protein GTNG_1019protein8229% helix, 28% strandA4IM41
B, CPutative regulatory protein GTNG_1019protein7727% helix, 30% strandA4IM41
DPutative regulatory protein GTNG_1019protein7828% helix, 29% strandA4IM41

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 3 copies · chains B, D

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1620.380.7913empty
2560.370.7912empty

Interfaces

3 interfaces between chains.

  • B–C · 1026 Ų buried · 15 hydrogen bonds · protein-protein
  • C–D · 1010 Ų buried · 13 hydrogen bonds · protein-protein
  • A–B · 1000 Ų buried · 16 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 12 modified (engineered).

Compared structures

  • 7BM2 · Crystal structure of the DNA-binding protein rema from geobacillus thermodenitrificans · the same entry in another collection · chain A against A, TM-score 1.00
  • A4IM41 · AlphaFold monomer V2.0 prediction for putative regulatory protein GTNG_1019 (A4IM41) · a predicted model of the same protein · chain B against A, TM-score 0.95

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