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MolNFT v1 · #114724 · protein

Crystal structure of human ribokinase in P21 spacegroup

5BYD: “Crystal structure of human ribokinase in P21 spacegroup”. X-ray diffraction, 2 ligands (NA, K), 4 pockets (best druggability 0.69). MolNFT v1 #114724 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5BYD
Type
protein
Length
627 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ribokinase
EC
2.7.1.15
UniProt
Q9H477
Ligands
NA, K
Pockets
4 · best druggability 0.69

Structure

x-ray diffraction · 2 distinct chains · 38% helix, 24% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ARibokinase (EC 2.7.1.15)protein31538% helix, 24% strandQ9H477
BRibokinase (EC 2.7.1.15)protein31238% helix, 23% strandQ9H477

Ligands and binding sites

  • NA · Sodium ion · metal · chains A
  • K · Potassium ion · metal · chains B

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

Pockets

4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15760.690.7863empty
25500.660.7768empty
31270.410.7529empty
4680.310.7419empty

Interfaces

1 interface between chains.

  • A–B · 1219 Ų buried · 12 hydrogen bonds · protein-protein

Compared structures

  • 5BYD · Crystal structure of human ribokinase in P21 spacegroup · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9H477 · AlphaFold monomer V2.0 prediction for ribokinase (Q9H477) · a predicted model of the same protein · chain B against A, TM-score 0.98

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