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MolNFT v1 · #60827 · protein

Crystal structure of yvgn and cofactor NADPH from bacillus subtilis

3D3F · Yvgn protein: “Crystal structure of yvgn and cofactor NADPH from bacillus subtilis”. X-ray diffraction, 1 ligand (NDP), 3 pockets (best druggability 0.82). MolNFT v1 #60827 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
3D3F
Type
protein
Length
550 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Yvgn protein
UniProt
O32210
Ligands
NDP
Pockets
3 · best druggability 0.82

Structure

x-ray diffraction · 1 distinct chain · 44% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BYvgn proteinprotein27544% helix, 17% strandO32210

Ligands and binding sites

  • NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate · ligand · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18050.820.8494NDP
22580.680.8427empty
3910.500.8318empty

Interfaces

1 interface between chains.

  • A–B · 792 Ų buried · 8 hydrogen bonds · protein-protein

Compared structures

  • 3D3F · Crystal Structure of Yvgn and cofactor NADPH from Bacillus subtilis · the same entry in another collection · chain A against A, TM-score 1.00
  • O32210 · AlphaFold monomer V2.0 prediction for glyoxal reductase (O32210) · a predicted model of the same protein · chain A against A, TM-score 1.00

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