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MolNFT v1 · #126118 · protein

Ligand binding domain of pseudomonas aeruginosa PAO1 amino acid chemoreceptors pctb in complex with L-arg

5LT9 · Methyl-accepting chemotaxis protein pctb: “Ligand binding domain of pseudomonas aeruginosa PAO1 amino acid chemoreceptors pctb in complex with L-arg”. X-ray diffraction, 2 ligands (ARG, NA), 2 pockets (best druggability 0.52).…

PDB
5LT9
Type
protein
Length
487 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Methyl-accepting chemotaxis protein pctb
UniProt
A0A0F6UK01
Ligands
ARG, NA
Pockets
2 · best druggability 0.52

Structure

x-ray diffraction · 2 distinct chains · 33% helix, 27% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMethyl-accepting chemotaxis protein pctbprotein23432% helix, 29% strandA0A0F6UK01
BMethyl-accepting chemotaxis protein pctbprotein25334% helix, 26% strandA0A0F6UK01

Ligands and binding sites

  • ARG · Arginine · ligand · 2 copies · chains A, B
  • NA · Sodium ion · metal · chains A
  • GOL · Glycerol · additive · chains B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1590.520.8718ARG
2780.350.7516empty

Interfaces

1 interface between chains.

  • A–B · 668 Ų buried · 12 hydrogen bonds · protein-protein

Compared structures

  • 5LT9 · Ligand binding domain of Pseudomonas aeruginosa PAO1 amino acid chemoreceptors PctB in… · the same entry in another collection · chain A against A, TM-score 1.00

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