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MolNFT v1 · #109972 · protein

Crystal structure of a shikimate 5-dehydrogenase from mycobacterium fortuitum determined by iodide sad phasing

4XIJ: “Crystal structure of a shikimate 5-dehydrogenase from mycobacterium fortuitum determined by iodide sad phasing”. X-ray diffraction, 1 ligand (SO4), 1 pocket (best druggability 0.69). MolNFT v1 #109972 on GenesisL1: 3D structure…

PDB
4XIJ
Type
protein
Length
268 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Shikimate 5-dehydrogenase
EC
1.1.1.25
UniProt
K0V1M6
Ligands
SO4
Pockets
1 · best druggability 0.69

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AShikimate 5-dehydrogenase (EC 1.1.1.25)protein26840% helix, 21% strandK0V1M6

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 4 copies · chains A
  • EDO · 1,2-ethanediol · additive · 3 copies · 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13470.690.8241SO4

Compared structures

  • 4XIJ · Crystal Structure of a Shikimate 5-dehydrogenase from Mycobacterium fortuitum Determined… · the same entry in another collection · chain A against A, TM-score 1.00

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