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MolNFT v1 · #103131 · protein

Structure of ribb complexed with substrate RU5P

4P77 · 3,4-dihydroxy-2-butanone 4-phosphate synthase: “Structure of ribb complexed with substrate RU5P”. X-ray diffraction, 1 ligand (5RP), 2 pockets (best druggability 0.64). MolNFT v1 #103131 on GenesisL1: 3D structure, binding sites and…

PDB
4P77
Type
protein
Length
423 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
3,4-dihydroxy-2-butanone 4-phosphate synthase
EC
4.1.99.12
UniProt
Q9KKP2
Ligands
5RP
Pockets
2 · best druggability 0.64

Structure

x-ray diffraction · 2 distinct chains · 42% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A3,4-dihydroxy-2-butanone 4-phosphate synthase (EC 4.1.99.12)protein21441% helix, 20% strandQ9KKP2
B3,4-dihydroxy-2-butanone 4-phosphate synthase (EC 4.1.99.12)protein20943% helix, 22% strandQ9KKP2

Ligands and binding sites

  • 5RP · Ribulose-5-phosphate · ligand · 2 copies · chains A, B
  • GOL · Glycerol · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11620.640.86305RP
21060.550.84255RP

Interfaces

1 interface between chains.

  • A–B · 1398 Ų buried · 14 hydrogen bonds · protein-protein

Compared structures

  • 4P77 · Structure of ribB complexed with substrate Ru5P · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9KKP2 · AlphaFold monomer V2.0 prediction for 3,4-dihydroxy-2-butanone 4-phosphate synthase… · a predicted model of the same protein · chain B against A, TM-score 1.00

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