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Structure of the pterocarpan synthase dirigent protein GEPTS1

Analyse Structure of the pterocarpan synthase dirigent protein GEPTS1 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6OOC
Type
protein
Length
1,009 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Dirigent protein
UniProt
A0A1V1FH01
Pockets
19 · best druggability 0.79

Structure

x-ray diffraction · 6 distinct chains · 5% helix, 53% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADirigent proteinprotein1614% helix, 56% strandA0A1V1FH01
BDirigent proteinprotein1743% helix, 49% strandA0A1V1FH01
CDirigent proteinprotein1644% helix, 54% strandA0A1V1FH01
DDirigent proteinprotein1685% helix, 52% strandA0A1V1FH01
EDirigent proteinprotein1684% helix, 58% strandA0A1V1FH01
FDirigent proteinprotein1748% helix, 49% strandA0A1V1FH01

Pockets

19 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18410.790.82104empty
21970.770.9133empty
31410.750.9431empty
41950.750.9035empty
5730.730.9621empty

Interfaces

10 interfaces between chains.

  • A–B · 1971 Ų buried · 15 hydrogen bonds · protein-protein
  • D–E · 1609 Ų buried · 22 hydrogen bonds · protein-protein
  • B–C · 1574 Ų buried · 23 hydrogen bonds · protein-protein
  • A–C · 1416 Ų buried · 18 hydrogen bonds · protein-protein
  • D–F · 1275 Ų buried · 16 hydrogen bonds · protein-protein

Compared structures

  • 6OOC · Structure of the pterocarpan synthase dirigent protein GePTS1 · the same entry in another collection · chain A against A, TM-score 1.00

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