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MolNFT v1 · #100039 · protein

1.65A resolution structure of toxt from vibrio cholerae (P21 form)

4MLO · Tcp pilus virulence regulatory protein: “1.65A resolution structure of toxt from vibrio cholerae (P21 form)”. X-ray diffraction, 2 ligands (PAM, CL), 3 pockets (best druggability 0.77). MolNFT v1 #100039 on GenesisL1: 3D structure…

PDB
4MLO
Type
protein
Length
267 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Tcp pilus virulence regulatory protein
UniProt
Q7BGC0
Ligands
PAM, CL
Pockets
3 · best druggability 0.77

Structure

x-ray diffraction · 1 distinct chain · 46% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATcp pilus virulence regulatory proteinprotein26746% helix, 22% strandQ7BGC0

Ligands and binding sites

  • PAM · Palmitoleic acid · ligand · chains A
  • CL · Chloride ion · ion · 3 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12720.770.8935PAM
22040.550.7934empty
3600.300.7513empty

Compared structures

  • 4MLO · 1.65A resolution structure of ToxT from Vibrio cholerae (P21 Form) · the same entry in another collection · chain A against A, TM-score 1.00

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