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Crystal structure of the extracellular domain of the putative hybrid two component system BT4673 from B. thetaiotaomicron

Analyse Crystal structure of the extracellular domain of the putative hybrid two… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3VA6
Type
protein
Length
1,490 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Two-component system sensor histidine kinase
UniProt
Q89YQ8
Pockets
16 · best druggability 0.81

Structure

x-ray diffraction · 2 distinct chains · 3% helix, 47% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATwo-component system sensor histidine kinaseprotein7473% helix, 47% strandQ89YQ8
BTwo-component system sensor histidine kinaseprotein7432% helix, 48% strandQ89YQ8

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110640.810.8289empty
210870.800.8286empty
311270.730.7795empty
49190.730.7766empty
57510.720.7847empty

Interfaces

1 interface between chains.

  • A–B · 2232 Ų buried · 36 hydrogen bonds · protein-protein

Compared structures

  • 3VA6 · Crystal Structure of the extracellular domain of the putative hybrid two component system… · the same entry in another collection · chain A against A, TM-score 1.00

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