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MolNFT v1 · #160133 · protein

Archaellum periplasmic stator protein complex flaf and flag from sulfolobus acidocaldarius

6PBK · Saci flag soluble domain: “Archaellum periplasmic stator protein complex flaf and flag from sulfolobus acidocaldarius”. X-ray diffraction, 1 ligand (NA), 4 pockets (best druggability 0.45). MolNFT v1 #160133 on GenesisL1: 3D…

PDB
6PBK
Type
protein
Length
490 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Saci flag soluble domain; Conserved flagellar protein F
UniProt
Q4J9K7, Q4J9K8
Ligands
NA
Pockets
4 · best druggability 0.45

Structure

x-ray diffraction · 2 distinct chains · 9% helix, 49% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, CSaci flag soluble domainprotein1153% helix, 46% strandQ4J9K7
B, DConserved flagellar protein Fprotein13014% helix, 51% strandQ4J9K8

Ligands and binding sites

  • NA · Sodium ion · metal · 3 copies · chains A, B, C
  • PEG · Di(hydroxyethyl)ether · additive · 6 copies · chains A, B, D, C
  • IMD · Imidazole · additive · 3 copies · chains D
  • EDO · 1,2-ethanediol · additive · 2 copies · chains B, D

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

Pockets

4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11490.450.7624empty
2560.400.8114PEG
3620.290.7410empty
4520.290.7515PEG, NA

Interfaces

3 interfaces between chains.

  • A–B · 881 Ų buried · 8 hydrogen bonds · protein-protein
  • B–D · 296 Ų buried · 4 hydrogen bonds · protein-protein
  • A–D · 229 Ų buried · 6 hydrogen bonds · protein-protein

Compared structures

  • 6PBK · Archaellum periplasmic stator protein complex FlaF and FlaG from Sulfolobus acidocaldarius · the same entry in another collection · chain A against A, TM-score 1.00

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