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Precise resting state of thermus thermophilus secyeg

Analyse Precise resting state of thermus thermophilus secyeg in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5AWW
Type
protein
Length
559 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protein translocase subunit secy; Protein translocase subunit sece; Putative preprotein…
UniProt
Q5SHQ8, P38383, Q5SHE6
Pockets
8 · best druggability 0.79

Structure

x-ray diffraction · 3 distinct chains · 72% helix, 5% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
YProtein translocase subunit secyprotein42472% helix, 6% strandQ5SHQ8
EProtein translocase subunit seceprotein6087% helix, 2% strandP38383
GPutative preprotein translocase, secg subunitprotein7561% helix, 0% strandQ5SHE6

Ligands and binding sites

  • OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · additive · 11 copies · chains Y, E, G

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17350.790.8271empty
22530.600.8042empty
33400.580.7643empty
4550.560.8815empty
5600.550.8816empty

Interfaces

2 interfaces between chains.

  • Y–E · 1955 Ų buried · 14 hydrogen bonds · protein-protein
  • Y–G · 1943 Ų buried · 19 hydrogen bonds · protein-protein

Compared structures

  • 5AWW · Precise Resting State of Thermus thermophilus SecYEG · the same entry in another collection · chain Y against Y, TM-score 1.00
  • Q5SHQ8 · AlphaFold monomer V2.0 prediction for protein translocase subunit secy (Q5SHQ8) · a predicted model of the same protein · chain Y against A, TM-score 0.97
  • P38383 · AlphaFold monomer V2.0 prediction for protein translocase subunit sece (P38383) · a predicted model of the same protein · chain E against A, TM-score 0.73

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