GL1X · GenesisL1 explorer

MolNFT v1 · #103332 · protein

Neutron crystal structure of E.COLI dihydrofolate reductase complexed with folate and NADP+

4PDJ: “Neutron crystal structure of E.COLI dihydrofolate reductase complexed with folate and NADP+”. X-ray diffraction; neutron diffraction, 3 ligands (DHF, NDP, MN), 1 pocket (best druggability 0.71). MolNFT v1 #103332 on GenesisL1: 3D…

PDB
4PDJ
Type
protein
Length
159 residues
Chains
1
Method
x-ray diffraction; neutron diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Dihydrofolate reductase
EC
1.5.1.3
UniProt
P0ABQ4
Ligands
DHF, NDP, MN
Pockets
1 · best druggability 0.71

Structure

x-ray diffraction; neutron diffraction · 1 distinct chain · 26% helix, 34% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADihydrofolate reductase (EC 1.5.1.3)protein15926% helix, 34% strandP0ABQ4

Ligands and binding sites

  • DHF · Dihydrofolic acid · ligand · chains A
  • NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate · ligand · chains A
  • MN · Manganese (II) ion · metal · 2 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
13870.710.8244DHF, NDP

Compared structures

  • 4PDJ · Neutron crystal Structure of E.coli Dihydrofolate Reductase complexed with folate and… · the same entry in another collection · chain A against A, TM-score 1.00
  • P0ABQ4 · AlphaFold monomer V2.0 prediction for dihydrofolate reductase (P0ABQ4) · a predicted model of the same protein · chain A against A, TM-score 0.99

Analyse

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.