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MolNFT v1 · #56588 · protein

Crystal structure of secye translocon from thermus thermophilus with a Fab fragment

2ZJS · Preprotein translocase secy subunit: “Crystal structure of secye translocon from thermus thermophilus with a Fab fragment”. X-ray diffraction, 1 ligand (ZN), 15 pockets (best druggability 0.67). MolNFT v1 #56588 on GenesisL1: 3D…

PDB
2ZJS
Type
protein
Length
895 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Preprotein translocase secy subunit; Preprotein translocase sece subunit; FAB56 (heavy…
UniProt
Q8KZP3, Q8KZP4
Ligands
ZN
Pockets
15 · best druggability 0.67

Structure

x-ray diffraction · 4 distinct chains · 38% helix, 26% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
YPreprotein translocase secy subunitprotein41570% helix, 5% strandQ8KZP3
EPreprotein translocase sece subunitprotein4652% helix, 0% strandQ8KZP4
HFAB56 (heavy chain)protein2206% helix, 51% strand—
LFAB56 (light chain)protein2144% helix, 46% strand—

Ligands and binding sites

  • ZN · Zinc ion · metal · 2 copies · chains Y, L

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1810.670.9318empty
24000.660.7941empty
33970.610.7628empty
43380.590.7734empty
51770.540.7928empty

Interfaces

4 interfaces between chains.

  • H–L · 1944 Ų buried · 19 hydrogen bonds · protein-protein
  • Y–E · 1752 Ų buried · 4 hydrogen bonds · protein-protein
  • Y–L · 404 Ų buried · 5 hydrogen bonds · protein-protein
  • Y–H · 373 Ų buried · 10 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 2ZJS · Crystal Structure of SecYE translocon from Thermus thermophilus with a Fab fragment · the same entry in another collection · chain Y against Y, TM-score 1.00

Analyse

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