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Crystal structure of a protein of unknown function MM2497 from methanosarcina mazei GO1, probable nucleotidyltransferase

Analyse Crystal structure of a protein of unknown function MM2497 from methanosarcina… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2I5E
Type
protein
Length
420 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Hypothetical protein MM_2497
UniProt
Q8PU52
Pockets
5 · best druggability 0.79

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BHypothetical protein MM_2497protein21036% helix, 20% strandQ8PU52

Ligands and binding sites

  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · 5 copies · chains A, B
  • PEG · Di(hydroxyethyl)ether · additive · 3 copies · chains A, B

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

Pockets

5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11290.790.9717TRS
25500.750.8246TRS
35230.740.8249TRS, PEG
4600.270.7320empty
5550.240.7219empty

Interfaces

1 interface between chains.

  • A–B · 1193 Ų buried · 20 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 10 modified (engineered).

Compared structures

  • 2I5E · Crystal Structure of a Protein of Unknown Function MM2497 from Methanosarcina mazei Go1… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q8PU52 · AlphaFold monomer V2.0 prediction for 2-phospho-L-lactate guanylyltransferase (Q8PU52) · a predicted model of the same protein · chain B against A, TM-score 0.98

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