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Structure of MA1831 from methanosarcina acetivorans in complex with dimethylallyl diphosphate.

Analyse Structure of MA1831 from methanosarcina acetivorans in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7VQA
Type
protein
Length
406 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Di-trans-poly-cis-decaprenylcistransferase
UniProt
Q8TPS4
Ligands
DMA, MG, SO4
Pockets
4 · best druggability 0.75

Structure

x-ray diffraction · 2 distinct chains · 40% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADi-trans-poly-cis-decaprenylcistransferaseprotein20140% helix, 19% strandQ8TPS4
BDi-trans-poly-cis-decaprenylcistransferaseprotein20540% helix, 20% strandQ8TPS4

Ligands and binding sites

  • DMA · Dimethylallyl diphosphate · ligand · 4 copies · chains A, B
  • MG · Magnesium ion · metal · 2 copies · chains A, B
  • SO4 · Sulfate ion · ion · 5 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13290.750.8644DMA, MG
23350.740.8539DMA, MG
3710.430.8011SO4
4510.300.7612empty

Interfaces

1 interface between chains.

  • A–B · 1190 Ų buried · 12 hydrogen bonds · protein-protein

Compared structures

  • 7VQA · Structure of MA1831 from Methanosarcina acetivorans in complex with dimethylallyl… · the same entry in another collection · chain A against A, TM-score 1.00

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