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Crystal structure of helicobacter pylori tlpa chemoreceptor ligand binding domain

Analyse Crystal structure of helicobacter pylori tlpa chemoreceptor ligand binding… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6E0A
Type
protein
Length
521 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Methyl-accepting chemotaxis protein tlpa
UniProt
A0A1U9IS38
Ligands
ZN, CA, CL
Pockets
9 · best druggability 0.74

Structure

x-ray diffraction · 2 distinct chains · 38% helix, 33% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMethyl-accepting chemotaxis protein tlpaprotein25937% helix, 34% strandA0A1U9IS38
BMethyl-accepting chemotaxis protein tlpaprotein26238% helix, 31% strandA0A1U9IS38

Ligands and binding sites

  • ZN · Zinc ion · metal · 9 copies · chains A, B
  • CA · Calcium ion · metal · chains A, B
  • CL · Chloride ion · ion · chains A
  • DTT · 2,3-dihydroxy-1,4-dithiobutane · additive · chains B

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

Pockets

9 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1740.740.9618empty
2640.730.9716empty
34680.690.8064ZN
42870.620.7931empty
5740.470.8316empty

Interfaces

1 interface between chains.

  • A–B · 1125 Ų buried · 12 hydrogen bonds · protein-protein

Compared structures

  • 6E0A · Crystal Structure of Helicobacter pylori TlpA Chemoreceptor Ligand Binding Domain · the same entry in another collection · chain A against A, TM-score 1.00

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