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Versatile cis-prenyltransferase MM_0014 from methanosarcina mazei (crystal type: FREE+IPP)

Analyse Versatile cis-prenyltransferase MM_0014 from methanosarcina mazei (crystal… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7CAR
Type
protein
Length
411 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cis-prenyltransferase, MM_0014
Ligands
IPE, PLM, PO4
Pockets
6 · best druggability 0.81

Structure

x-ray diffraction · 2 distinct chains · 41% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACis-prenyltransferase, MM_0014protein21441% helix, 18% strand—
BCis-prenyltransferase, MM_0014protein19742% helix, 18% strand—

Ligands and binding sites

  • IPE · 3-methylbut-3-enyl trihydrogen diphosphate · ligand · chains A, B
  • PLM · Palmitic acid · ligand · chains A, B
  • PO4 · Phosphate ion · ion · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11740.810.9636PLM, PO4
22760.760.8945IPE, PO4
3610.310.7617empty
4710.300.7413empty
5600.300.7514empty

Interfaces

1 interface between chains.

  • A–B · 1515 Ų buried · 25 hydrogen bonds · protein-protein

Compared structures

  • 7CAR · Versatile cis-prenyltransferase MM_0014 from Methanosarcina mazei (crystal type: free+IPP) · the same entry in another collection · chain B against B, TM-score 1.00

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