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MolNFT v1 · #23703 · protein

Crystal structure of human placental glyceraldehyde-3- phosphate dehydrogenase at 1.75 resolution

1U8F · Glyceraldehyde-3-phosphate dehydrogenase, liver: “Crystal structure of human placental glyceraldehyde-3- phosphate dehydrogenase at 1.75 resolution”. X-ray diffraction, 1 ligand (NAD), 9 pockets (best druggability 0.77). MolNFT v1…

PDB
1U8F
Type
protein
Length
1,332 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Glyceraldehyde-3-phosphate dehydrogenase, liver
EC
1.2.1.12
UniProt
P04406
Ligands
NAD
Pockets
9 · best druggability 0.77

Structure

x-ray diffraction · 1 distinct chain · 30% helix, 27% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
O, P, Q, RGlyceraldehyde-3-phosphate dehydrogenase, liver (EC 1.2.1.12)protein33330% helix, 27% strandP04406

Ligands and binding sites

  • NAD · Nicotinamide-adenine-dinucleotide · ligand · 3 copies · chains P, Q, O, R

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110440.770.79113NAD
24610.760.8545empty
39480.760.79124NAD
45840.730.8168empty
5770.360.7614empty

Interfaces

6 interfaces between chains.

  • Q–R · 2032 Ų buried · 36 hydrogen bonds · protein-protein
  • O–P · 1999 Ų buried · 34 hydrogen bonds · protein-protein
  • P–Q · 1438 Ų buried · 25 hydrogen bonds · protein-protein
  • O–R · 1435 Ų buried · 25 hydrogen bonds · protein-protein
  • P–R · 557 Ų buried · 3 hydrogen bonds · protein-protein

Compared structures

  • 1U8F · Crystal Structure Of Human Placental Glyceraldehyde-3-Phosphate Dehydrogenase At 1.75… · the same entry in another collection · chain P against P, TM-score 1.00
  • P04406 · AlphaFold monomer V2.0 prediction for glyceraldehyde-3-phosphate dehydrogenase (P04406) · a predicted model of the same protein · chain P against A, TM-score 1.00

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