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Crystal structure of vbrr-DNA complex

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

PDB
7E1B
Type
protein + DNA
Length
1,772 residues
Chains
12
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA-binding response regulator; DNA (26-mer)
UniProt
A0A0L8SKF9
Pockets
20 · best druggability 0.87

Structure

x-ray diffraction · 6 distinct chains · 35% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, CDNA-binding response regulatorprotein20933% helix, 16% strandA0A0L8SKF9
B, DDNA-binding response regulatorprotein20838% helix, 16% strandA0A0L8SKF9
E, GDNA-binding response regulatorprotein20934% helix, 22% strandA0A0L8SKF9
F, HDNA-binding response regulatorprotein20836% helix, 15% strandA0A0L8SKF9
Y, IDNA (26-mer)dna26——
Z, JDNA (26-mer)dna26——

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17920.870.8996empty
28890.840.86103empty
31890.810.9526empty
48990.800.8299empty
51300.780.9537empty

Interfaces

36 interfaces between chains.

  • A–B · 1279 Ų buried · 11 hydrogen bonds · protein-protein
  • G–H · 1267 Ų buried · 17 hydrogen bonds · protein-protein
  • E–F · 1246 Ų buried · 12 hydrogen bonds · protein-protein
  • C–D · 1240 Ų buried · 9 hydrogen bonds · protein-protein
  • Y–Z · 1183 Ų buried · 107 hydrogen bonds · nucleic-nucleic

Compared structures

  • 7E1B · Crystal structure of VbrR-DNA complex · the same entry in another collection · chain A against A, TM-score 1.00

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