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MolNFT v1 · #156135 · protein

Trans-acting mutant Y290A of the central aaa+ domain of the flagellar regulatory protein flrc

6LUF · Flagellar regulatory protein C: “Trans-acting mutant Y290A of the central aaa+ domain of the flagellar regulatory protein flrc”. X-ray diffraction, 1 ligand (ADP), 20 pockets (best druggability 0.78). MolNFT v1 #156135 on GenesisL1…

PDB
6LUF
Type
protein
Length
1,725 residues
Chains
7
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Flagellar regulatory protein C
UniProt
A0A0H3AHP1
Ligands
ADP
Pockets
20 · best druggability 0.78

Structure

x-ray diffraction · 2 distinct chains · 42% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, FFlagellar regulatory protein Cprotein24742% helix, 14% strandA0A0H3AHP1
C, D, E, GFlagellar regulatory protein Cprotein24642% helix, 15% strandA0A0H3AHP1

Ligands and binding sites

  • ADP · Adenosine-5'-diphosphate · ligand · 7 copies · chains A, B, C, D, E, F, G

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

Pockets

20 pockets found on a 1 Å grid, 16 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110430.780.8098ADP
29840.780.8097ADP
311460.780.8099ADP
410630.780.80103ADP
510300.770.7995ADP

Interfaces

7 interfaces between chains.

  • B–C · 887 Ų buried · 12 hydrogen bonds · protein-protein
  • A–G · 871 Ų buried · 16 hydrogen bonds · protein-protein
  • A–B · 868 Ų buried · 15 hydrogen bonds · protein-protein
  • C–D · 865 Ų buried · 13 hydrogen bonds · protein-protein
  • F–G · 864 Ų buried · 17 hydrogen bonds · protein-protein

Compared structures

  • 6LUF · Trans-acting mutant Y290A of the central AAA+ domain of the flagellar regulatory protein… · the same entry in another collection · chain A against A, TM-score 1.00

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