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MolNFT v1 · #82973 · protein + DNA

Crystal structure of virb core domain complexed with the cis-acting site upstream icsb promoter

3W3C · Virulence regulon transcriptional activator virb: “Crystal structure of virb core domain complexed with the cis-acting site upstream icsb promoter”. X-ray diffraction, 3 pockets (best druggability 0.51). MolNFT v1 #82973 on…

PDB
3W3C
Type
protein + DNA
Length
168 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Virulence regulon transcriptional activator virb; DNA (26-mer)
UniProt
P0A247
Pockets
3 · best druggability 0.51

Structure

x-ray diffraction · 3 distinct chains · 66% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AVirulence regulon transcriptional activator virbprotein11666% helix, 0% strandP0A247
BDNA (26-mer)dna26——
CDNA (26-mer)dna26——

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11310.510.8017empty
21420.390.7414empty
31150.360.7320empty

Interfaces

3 interfaces between chains.

  • B–C · 1030 Ų buried · 102 hydrogen bonds · nucleic-nucleic
  • A–B · 419 Ų buried · 7 hydrogen bonds · protein-nucleic
  • A–C · 323 Ų buried · 5 hydrogen bonds · protein-nucleic

Compared structures

  • 3W3C · Crystal structure of VirB core domain complexed with the cis-acting site upstream icsb… · the same entry in another collection · chain A against A, TM-score 1.00
  • P0A247 · AlphaFold monomer V2.0 prediction for virulence regulon transcriptional activator virb… · a predicted model of the same protein · chain A against A, TM-score 0.92

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