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MolNFT v1 · #68915 · protein

Crystal structure of an oxidoreductase from methanosarcina mazei. northeast structural genomics consortium target id MAR208

3KA7: “Crystal structure of an oxidoreductase from methanosarcina mazei. northeast structural genomics consortium…”. X-ray diffraction, 1 ligand (FAD), 3 pockets (best druggability 0.86). MolNFT v1 #68915 on GenesisL1: 3D structure…

PDB
3KA7
Type
protein
Length
422 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Oxidoreductase
UniProt
Q8PU56
Ligands
FAD
Pockets
3 · best druggability 0.86

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 26% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AOxidoreductaseprotein42236% helix, 26% strandQ8PU56

Ligands and binding sites

  • FAD · Flavin-adenine dinucleotide · ligand · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18380.860.8898FAD
2700.430.8119empty
3590.380.7913empty

Modifications

Observed in the structure: 10 modified (engineered).

Compared structures

  • 3KA7 · Crystal Structure of an oxidoreductase from Methanosarcina mazei. Northeast Structural… · the same entry in another collection · chain A against A, TM-score 1.00

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