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Crystal structure of a FMN-binding protein (SWOL_0183) from syntrophomonas wolfei subsp. wolfei at 2.12 a resolution

Analyse Crystal structure of a FMN-binding protein (SWOL_0183) from syntrophomonas… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3IN6
Type
protein
Length
294 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
FMN-binding protein
UniProt
Q0B0G9
Ligands
FMN
Pockets
2 · best druggability 0.64

Structure

x-ray diffraction · 1 distinct chain · 35% helix, 38% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BFMN-binding proteinprotein14735% helix, 38% strandQ0B0G9

Ligands and binding sites

  • FMN · Flavin mononucleotide · ligand · 2 copies · chains A, B
  • MPD · (4S)-2-methyl-2,4-pentanediol · additive · 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, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12280.640.8337FMN
22750.640.8147FMN

Interfaces

1 interface between chains.

  • A–B · 1517 Ų buried · 11 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 modified (engineered).

Compared structures

  • 3IN6 · Crystal structure of a fmn-binding protein (swol_0183) from syntrophomonas wolfei subsp.… · the same entry in another collection · chain A against A, TM-score 1.00

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