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Crystal structure of untagged C54A mutant flavin reductase (dszd) in complex with FMN from mycobacterium goodii

Analyse Crystal structure of untagged C54A mutant flavin reductase (dszd) in complex… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3PFT
Type
protein
Length
313 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Flavin reductase
EC
1.5.1.29
UniProt
B6CDL6
Ligands
FMN
Pockets
2 · best druggability 0.68

Structure

x-ray diffraction · 2 distinct chains · 12% helix, 47% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AFlavin reductase (EC 1.5.1.29)protein15613% helix, 48% strandB6CDL6
BFlavin reductase (EC 1.5.1.29)protein15711% helix, 46% strandB6CDL6

Ligands and binding sites

  • FMN · Flavin mononucleotide · ligand · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14890.680.7943FMN
24620.670.7943FMN

Interfaces

1 interface between chains.

  • A–B · 2480 Ų buried · 19 hydrogen bonds · protein-protein

Compared structures

  • 3PFT · Crystal Structure of Untagged C54A Mutant Flavin Reductase (DszD) in Complex with FMN… · the same entry in another collection · chain A against A, TM-score 1.00

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