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Crystal structure of unliganded P. aeruginosa pilt

Analyse Crystal structure of unliganded P. aeruginosa pilt in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3JVU
Type
protein
Length
988 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Twitching mobility protein
UniProt
P24559
Ligands
CL
Pockets
8 · best druggability 0.81

Structure

x-ray diffraction · 3 distinct chains · 37% helix, 28% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATwitching mobility proteinprotein33737% helix, 28% strandP24559
BTwitching mobility proteinprotein31738% helix, 28% strandP24559
CTwitching mobility proteinprotein33437% helix, 28% strandP24559

Ligands and binding sites

  • CL · Chloride ion · ion · 2 copies · chains A, C
  • CIT · Citric acid · additive · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111570.810.83108empty
28410.810.8478CL
35170.670.7875CL
41200.630.8820empty
5510.390.8118empty

Interfaces

2 interfaces between chains.

  • B–C · 1620 Ų buried · 38 hydrogen bonds · protein-protein
  • A–B · 1474 Ų buried · 31 hydrogen bonds · protein-protein

Compared structures

  • 3JVU · Crystal structure of unliganded P. aeruginosa PilT · the same entry in another collection · chain A against A, TM-score 1.00
  • P24559 · AlphaFold monomer V2.0 prediction for type IV pilus retractation ATPase pilt (P24559) · a predicted model of the same protein · chain C against A, TM-score 0.96

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