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Crystal strucuture of the ethidium-bound form of ramr (transcriptional regurator of tetr family) from salmonella typhimurium

Analyse Crystal strucuture of the ethidium-bound form of ramr (transcriptional… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3VVY
Type
protein
Length
737 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Putative regulatory protein
UniProt
D0ZP76
Ligands
ET
Pockets
6 · best druggability 0.82

Structure

x-ray diffraction · 3 distinct chains · 79% helix, 1% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BPutative regulatory proteinprotein18480% helix, 1% strandD0ZP76
CPutative regulatory proteinprotein18680% helix, 1% strandD0ZP76
DPutative regulatory proteinprotein18379% helix, 1% strandD0ZP76

Ligands and binding sites

  • ET · Ethidium · ligand · 4 copies · chains A, B, C, D

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14950.820.8952ET
24290.820.8952ET
311690.810.8291ET
49450.800.8284ET
54470.610.7637empty

Interfaces

3 interfaces between chains.

  • A–B · 1296 Ų buried · 8 hydrogen bonds · protein-protein
  • C–D · 1291 Ų buried · 8 hydrogen bonds · protein-protein
  • B–D · 349 Ų buried · 1 hydrogen bond · protein-protein

Compared structures

  • 3VVY · Crystal Strucuture of The Ethidium-Bound Form of RamR (Transcriptional Regurator of TetR… · the same entry in another collection · chain A against A, TM-score 1.00

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