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Crystal structure of GEBA250068378 from sulfurospirillum deleyianum

Analyse Crystal structure of GEBA250068378 from sulfurospirillum deleyianum in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3NKG
Type
protein
Length
340 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Uncharacterized protein GEBA250068378
UniProt
D1B2F0
Pockets
2 · best druggability 0.69

Structure

x-ray diffraction · 1 distinct chain · 14% helix, 44% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BUncharacterized protein GEBA250068378protein17014% helix, 44% strandD1B2F0

Ligands and binding sites

  • ACY · Acetic acid · additive · 5 copies · chains A, B
  • GOL · Glycerol · additive · 3 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17100.690.7662empty
2670.330.7617empty

Interfaces

1 interface between chains.

  • A–B · 228 Ų buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 modified (engineered).

Compared structures

  • 3NKG · Crystal Structure of GEBA250068378 from Sulfurospirillum deleyianum · the same entry in another collection · chain A against A, TM-score 1.00

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