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Crystal structure of the flagellar hook cap from salmonella enterica serovar typhimurium

Analyse Crystal structure of the flagellar hook cap from salmonella enterica serovar… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7EHA
Type
protein
Length
824 residues
Chains
5
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Basal-body rod modification protein flgd
UniProt
P0A1I9
Pockets
9 · best druggability 0.79

Structure

x-ray diffraction · 5 distinct chains · 22% helix, 41% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ABasal-body rod modification protein flgdprotein17724% helix, 41% strandP0A1I9
BBasal-body rod modification protein flgdprotein16522% helix, 41% strandP0A1I9
CBasal-body rod modification protein flgdprotein16223% helix, 42% strandP0A1I9
DBasal-body rod modification protein flgdprotein15420% helix, 36% strandP0A1I9
EBasal-body rod modification protein flgdprotein16619% helix, 45% strandP0A1I9

Pockets

9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110100.790.8157empty
22580.650.8236empty
3860.590.8822empty
41250.550.8321empty
52800.520.7430empty

Interfaces

5 interfaces between chains.

  • A–B · 1116 Ų buried · 14 hydrogen bonds · protein-protein
  • D–E · 925 Ų buried · 8 hydrogen bonds · protein-protein
  • C–D · 889 Ų buried · 6 hydrogen bonds · protein-protein
  • B–C · 706 Ų buried · 7 hydrogen bonds · protein-protein
  • A–E · 617 Ų buried · 5 hydrogen bonds · protein-protein

Compared structures

  • 7EHA · Crystal structure of the flagellar hook cap from Salmonella enterica serovar Typhimurium · the same entry in another collection · chain E against E, TM-score 1.00
  • P0A1I9 · AlphaFold monomer V2.0 prediction for basal-body rod modification protein flgd (P0A1I9) · a predicted model of the same protein · chain C against A, TM-score 0.93

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