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MolNFT v1 · #139842 · protein

Crystal structure of transketolase contains cysteinesufonic acid from pichia stipitis

5XRY: “Crystal structure of transketolase contains cysteinesufonic acid from pichia stipitis”. X-ray diffraction, 1 ligand (CA), 5 pockets (best druggability 0.59). MolNFT v1 #139842 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
5XRY
Type
protein
Length
675 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Transketolase
EC
2.2.1.1
UniProt
P34736
Ligands
CA
Pockets
5 · best druggability 0.59

Structure

x-ray diffraction · 1 distinct chain · 45% helix, 13% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATransketolase (EC 2.2.1.1)protein67545% helix, 13% strandP34736

Ligands and binding sites

  • CA · Calcium ion · metal · chains A
  • PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12760.590.7946PEG
2740.480.8324CA
3900.380.7617empty
4590.320.7616empty
5720.290.7316empty

Modifications

Observed in the structure: 1 modified (oxidation).

Compared structures

  • 5XRY · Crystal Structure of Transketolase contains cysteinesufonic acid from Pichia Stipitis · the same entry in another collection · chain A against A, TM-score 1.00
  • P34736 · AlphaFold monomer V2.0 prediction for transketolase (P34736) · a predicted model of the same protein · chain A against A, TM-score 1.00

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