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Crystal structure of the legionella effector protein mave

Analyse Crystal structure of the legionella effector protein mave in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6PIR
Type
protein
Length
401 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Mave
UniProt
Q5ZT21
Pockets
6 · best druggability 0.76

Structure

x-ray diffraction · 3 distinct chains · 75% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMaveprotein13274% helix, 0% strandQ5ZT21
BMaveprotein13774% helix, 0% strandQ5ZT21
CMaveprotein13277% helix, 0% strandQ5ZT21

Ligands and binding sites

  • CIT · Citric acid · additive · 2 copies · chains B, C

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111900.760.7979empty
21590.470.7720CIT
31560.450.7624empty
4670.320.7619empty
5800.290.7218empty

Interfaces

3 interfaces between chains.

  • B–C · 1126 Ų buried · 31 hydrogen bonds · protein-protein
  • A–C · 361 Ų buried · 5 hydrogen bonds · protein-protein
  • A–B · 108 Ų buried · 1 hydrogen bond · protein-protein

Compared structures

  • 6PIR · Crystal structure of the Legionella effector protein MavE · the same entry in another collection · chain A against A, TM-score 1.00

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