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MolNFT v1 · #99268 · protein

Crystal structure of human PRS1 E43T mutant

4LYG · Ribose-phosphate pyrophosphokinase 1: “Crystal structure of human PRS1 E43T mutant”. X-ray diffraction, 1 ligand (SO4), 7 pockets (best druggability 0.73). MolNFT v1 #99268 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
4LYG
Type
protein
Length
614 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ribose-phosphate pyrophosphokinase 1
EC
2.7.6.1
UniProt
P60891
Ligands
SO4
Pockets
7 · best druggability 0.73

Structure

x-ray diffraction · 2 distinct chains · 35% helix, 25% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ARibose-phosphate pyrophosphokinase 1 (EC 2.7.6.1)protein30435% helix, 25% strandP60891
BRibose-phosphate pyrophosphokinase 1 (EC 2.7.6.1)protein31035% helix, 26% strandP60891

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 5 copies · chains A, B

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

Pockets

7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12090.730.8940empty
21410.620.8630empty
31410.520.8124empty
41200.490.8024empty
51940.470.7537SO4

Interfaces

1 interface between chains.

  • A–B · 2009 Ų buried · 34 hydrogen bonds · protein-protein

Compared structures

  • 4LYG · Crystal structure of human PRS1 E43T mutant · the same entry in another collection · chain A against A, TM-score 1.00
  • P60891 · AlphaFold monomer V2.0 prediction for ribose-phosphate pyrophosphokinase 1 (P60891) · a predicted model of the same protein · chain B against A, TM-score 0.99

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