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Structure of the human heterotetrameric cis-prenyltransferase complex in complex with magnesium and ggspp

Analyse Structure of the human heterotetrameric cis-prenyltransferase complex in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7PAY
Type
protein
Length
527 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Dehydrodolichyl diphosphate synthase complex subunit dhdds; Dehydrodolichyl diphosphate…
EC
2.5.1.87
UniProt
Q86SQ9, Q96E22
Ligands
GGS, MG, SO4
Pockets
7 · best druggability 0.83

Structure

x-ray diffraction · 2 distinct chains · 55% helix, 12% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADehydrodolichyl diphosphate synthase complex subunit dhdds (EC 2.5.1.87)protein32960% helix, 11% strandQ86SQ9
BDehydrodolichyl diphosphate synthase complex subunit NUS1 (EC 2.5.1.87)protein19847% helix, 13% strandQ96E22

Ligands and binding sites

  • GGS · Phosphonooxy-[(10E)-3,7,11,15-tetramethylhexadeca-2,6, 10,14-tetraenyl]sulfanyl-phosphinic acid · ligand · chains A
  • MG · Magnesium ion · metal · chains A
  • SO4 · Sulfate ion · ion · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14000.830.9144SO4, MG, GGS
23980.670.8032empty
3720.620.9019empty
43410.570.7648empty
5550.380.8014empty

Interfaces

1 interface between chains.

  • A–B · 2013 Ų buried · 33 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 covalent (covalent ligand).

Compared structures

  • 7PAY · Structure of the human heterotetrameric cis-prenyltransferase complex in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q86SQ9 · AlphaFold monomer V2.0 prediction for dehydrodolichyl diphosphate synthase complex… · a predicted model of the same protein · chain A against A, TM-score 0.98
  • Q96E22 · AlphaFold monomer V2.0 prediction for dehydrodolichyl diphosphate synthase complex… · a predicted model of the same protein · chain B against A, TM-score 0.97

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