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Crystal structure of tetr family protein RV0078 in complex with DNA

Analyse Crystal structure of tetr family protein RV0078 in complex with DNA in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6C31
Type
protein + DNA
Length
1,643 residues
Chains
12
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Tetr family transcriptional regulator; DNA (5'…
UniProt
L0T5M0
Pockets
18 · best druggability 0.88

Structure

x-ray diffraction · 4 distinct chains · 81% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, E, F, GTetr family transcriptional regulatorprotein19581% helix, 0% strandL0T5M0
C, D, HTetr family transcriptional regulatorprotein19481% helix, 0% strandL0T5M0
I, KDNA (5'- D(P*AP*CP*AP*AP*GP*CP*AP*GP*AP*CP*TP*GP*CP*CP*GP*GP*TP*AP*AP*C)-3')dna20——
J, LDNA (5'- D(*GP*TP*TP*AP*CP*CP*GP*GP*CP*AP*GP*TP*CP*TP*GP*CP*TP*TP*GP*TP*AP*AP* a)-3')dna23——

Pockets

18 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14010.880.9678empty
23900.880.9671empty
34490.880.9585empty
43120.860.9559empty
5780.760.9818empty

Interfaces

25 interfaces between chains.

  • E–H · 1596 Ų buried · 2 hydrogen bonds · protein-protein
  • F–G · 1591 Ų buried · 2 hydrogen bonds · protein-protein
  • A–D · 1574 Ų buried · 3 hydrogen bonds · protein-protein
  • B–C · 1569 Ų buried · 2 hydrogen bonds · protein-protein
  • K–L · 924 Ų buried · 69 hydrogen bonds · nucleic-nucleic

Compared structures

  • 6C31 · Crystal structure of TetR family protein Rv0078 in complex with DNA · the same entry in another collection · chain A against A, TM-score 1.00

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