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MolNFT v1 · #11887 · protein

Crystal structure of old yellow enzyme mutant GLN114ASN

1K02 · NADPH dehydrogenase 1: “Crystal structure of old yellow enzyme mutant GLN114ASN”. X-ray diffraction, 2 ligands (FMN, MG), 2 pockets (best druggability 0.81). MolNFT v1 #11887 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
1K02
Type
protein
Length
399 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
NADPH dehydrogenase 1
EC
1.6.99.1
UniProt
Q02899
Ligands
FMN, MG
Pockets
2 · best druggability 0.81

Structure

x-ray diffraction · 1 distinct chain · 35% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANADPH dehydrogenase 1 (EC 1.6.99.1)protein39935% helix, 14% strandQ02899

Ligands and binding sites

  • FMN · Flavin mononucleotide · ligand · chains A
  • MG · Magnesium ion · metal · 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11740.810.9532FMN
2810.370.7616empty

Compared structures

  • 1K02 · Crystal Structure of Old Yellow Enzyme Mutant Gln114Asn · the same entry in another collection · chain A against A, TM-score 1.00
  • Q02899 · AlphaFold monomer V2.0 prediction for NADPH dehydrogenase 1 (Q02899) · a predicted model of the same protein · chain A against A, TM-score 1.00

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