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Structure of DOTL(656-783)-icms-icmw-lvga-VPDB(461-590) derived from legionella pneumophila

Analyse Structure of DOTL(656-783)-icms-icmw-lvga-VPDB(461-590) derived from legionella… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7BWK
Type
protein
Length
1,342 residues
Chains
10
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Icmo (dotl); Icms; Icmw; Hypothetical virulence protein; Pnpla domain-containing protein
UniProt
Q5ZYC6, Q5ZYD0, Q5ZS31, Q5ZY48, Q5ZW60
Pockets
20 · best druggability 0.82

Structure

x-ray diffraction · 8 distinct chains · 54% helix, 8% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AIcmo (dotl)protein11353% helix, 2% strandQ5ZYC6
B, GIcmsprotein11348% helix, 18% strandQ5ZYD0
C, HIcmwprotein14971% helix, 0% strandQ5ZS31
DHypothetical virulence proteinprotein18136% helix, 19% strandQ5ZY48
EPnpla domain-containing proteinprotein11674% helix, 0% strandQ5ZW60
FIcmo (dotl)protein11156% helix, 2% strandQ5ZYC6
IHypothetical virulence proteinprotein18136% helix, 18% strandQ5ZY48
JPnpla domain-containing proteinprotein11672% helix, 0% strandQ5ZW60

Pockets

20 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110760.820.83108empty
24060.770.8643empty
35200.770.8461empty
48200.710.77106empty
55440.710.8075empty

Interfaces

26 interfaces between chains.

  • A–C · 2833 Ų buried · 20 hydrogen bonds · protein-protein
  • F–H · 2731 Ų buried · 18 hydrogen bonds · protein-protein
  • B–D · 1548 Ų buried · 22 hydrogen bonds · protein-protein
  • G–I · 1534 Ų buried · 23 hydrogen bonds · protein-protein
  • H–I · 1348 Ų buried · 18 hydrogen bonds · protein-protein

Compared structures

  • 7BWK · Structure of DotL(656-783)-IcmS-IcmW-LvgA-VpdB(461-590) derived from Legionella… · the same entry in another collection · chain A against A, TM-score 1.00

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