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MolNFT v1 · #155953 · protein

Crystal structure of enterococcus faecalis undecaprenyl pyrophosphate SYNTHASE(EFAUPPS)

6LOI · Isoprenyl transferase: “Crystal structure of enterococcus faecalis undecaprenyl pyrophosphate SYNTHASE(EFAUPPS)”. X-ray diffraction, 12 pockets (best druggability 0.78). MolNFT v1 #155953 on GenesisL1: 3D structure, binding sites…

PDB
6LOI
Type
protein
Length
1,341 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Isoprenyl transferase
EC
2.5.1.-
UniProt
A0A246M745
Pockets
12 · best druggability 0.78

Structure

x-ray diffraction · 5 distinct chains · 47% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AIsoprenyl transferase (EC 2.5.1.-)protein21746% helix, 15% strandA0A246M745
B, FIsoprenyl transferase (EC 2.5.1.-)protein22246% helix, 14% strandA0A246M745
CIsoprenyl transferase (EC 2.5.1.-)protein23546% helix, 13% strandA0A246M745
DIsoprenyl transferase (EC 2.5.1.-)protein22352% helix, 13% strandA0A246M745
EIsoprenyl transferase (EC 2.5.1.-)protein22246% helix, 14% strandA0A246M745

Pockets

12 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14490.780.8651empty
22220.690.8525empty
32160.640.8323empty
41960.630.8326empty
51430.600.8425empty

Interfaces

10 interfaces between chains.

  • B–C · 1674 Ų buried · 21 hydrogen bonds · protein-protein
  • E–F · 1668 Ų buried · 19 hydrogen bonds · protein-protein
  • A–C · 504 Ų buried · 12 hydrogen bonds · protein-protein
  • A–D · 429 Ų buried · 5 hydrogen bonds · protein-protein
  • B–D · 350 Ų buried · 4 hydrogen bonds · protein-protein

Compared structures

  • 6LOI · Crystal structure of Enterococcus faecalis Undecaprenyl pyrophosphate synthase(EfaUPPS) · the same entry in another collection · chain A against A, TM-score 1.00

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