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MolNFT v1 · #58120 · protein

Structure of the ligand binding domain of the bacterial serine chemoreceptor tsr with ligand

3ATP · Methyl-accepting chemotaxis protein I: “Structure of the ligand binding domain of the bacterial serine chemoreceptor tsr with ligand”. X-ray diffraction, 1 ligand (SER), 1 pocket (best druggability 0.73). MolNFT v1 #58120 on…

PDB
3ATP
Type
protein
Length
302 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Methyl-accepting chemotaxis protein I
UniProt
P02942
Ligands
SER
Pockets
1 · best druggability 0.73

Structure

x-ray diffraction · 2 distinct chains · 81% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMethyl-accepting chemotaxis protein Iprotein15180% helix, 0% strandP02942
BMethyl-accepting chemotaxis protein Iprotein15181% helix, 0% strandP02942

Ligands and binding sites

  • SER · Serine · ligand · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17630.730.7969empty

Interfaces

1 interface between chains.

  • A–B · 1499 Ų buried · 23 hydrogen bonds · protein-protein

Compared structures

  • 3ATP · Structure of the ligand binding domain of the bacterial serine chemoreceptor Tsr with… · the same entry in another collection · chain A against A, TM-score 1.00
  • P02942 · AlphaFold monomer V2.0 prediction for methyl-accepting chemotaxis protein I (P02942) · a predicted model of the same protein · chain B against A, TM-score 0.96

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