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MolNFT v1 · #182841 · protein

Crystal structure of HCAN_0198, a 3,4-ketoisomerase from helicobacter canadensis

7N67 · Fdta domain-containing protein: “Crystal structure of HCAN_0198, a 3,4-ketoisomerase from helicobacter canadensis”. X-ray diffraction, 1 ligand (TYD), 1 pocket (best druggability 0.44). MolNFT v1 #182841 on GenesisL1: 3D structure…

PDB
7N67
Type
protein
Length
265 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Fdta domain-containing protein
UniProt
C5ZW00
Ligands
TYD
Pockets
1 · best druggability 0.44

Structure

x-ray diffraction · 2 distinct chains · 8% helix, 47% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AFdta domain-containing proteinprotein1328% helix, 48% strandC5ZW00
BFdta domain-containing proteinprotein1338% helix, 47% strandC5ZW00

Ligands and binding sites

  • TYD · Thymidine-5'-diphosphate · ligand · 2 copies · chains A, B
  • TMA · Tetramethylammonium ion · additive · chains A

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1950.440.7915empty

Interfaces

1 interface between chains.

  • A–B · 526 Ų buried · 5 hydrogen bonds · protein-protein

Compared structures

  • 7N67 · Crystal structure of HCAN_0198, a 3,4-ketoisomerase from Helicobacter canadensis · the same entry in another collection · chain A against A, TM-score 1.00

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