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Crystal structure of an intramolecular mesacyl-CoA transferase from the 3-hydroxypropionic acid cycle of roseiflexus castenholzii

Analyse Crystal structure of an intramolecular mesacyl-CoA transferase from the… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7XKG
Type
protein
Length
2,435 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Acyl-CoA TRANSFERASE/CARNITINE dehydratase-like protein
UniProt
A7NHS9
Pockets
20 · best druggability 0.81

Structure

x-ray diffraction · 2 distinct chains · 40% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, E, FAcyl-CoA TRANSFERASE/CARNITINE dehydratase-like proteinprotein40640% helix, 16% strandA7NHS9
DAcyl-CoA TRANSFERASE/CARNITINE dehydratase-like proteinprotein40541% helix, 16% strandA7NHS9

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111350.810.82103empty
211060.800.8199empty
37880.780.8264empty
44980.760.8369empty
55580.750.8278empty

Interfaces

15 interfaces between chains.

  • C–D · 6896 Ų buried · 81 hydrogen bonds · protein-protein
  • A–B · 6865 Ų buried · 77 hydrogen bonds · protein-protein
  • E–F · 6860 Ų buried · 84 hydrogen bonds · protein-protein
  • B–C · 424 Ų buried · 2 hydrogen bonds · protein-protein
  • D–E · 421 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

  • 7XKG · Crystal structure of an intramolecular mesacyl-CoA transferase from the… · the same entry in another collection · chain A against A, TM-score 1.00

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