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MolNFT v1 · #76910 · protein

Structure of treponema denticola factor H binding protein (fhbb), selenomethionine derivative

3QZ0: “Structure of treponema denticola factor H binding protein (fhbb), selenomethionine derivative”. X-ray diffraction, 1 ligand (SCN), 2 pockets (best druggability 0.78). MolNFT v1 #76910 on GenesisL1: 3D structure, binding sites and…

PDB
3QZ0
Type
protein
Length
157 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Factor H binding protein
UniProt
Q73RI0
Ligands
SCN
Pockets
2 · best druggability 0.78

Structure

x-ray diffraction · 2 distinct chains · 54% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AFactor H binding proteinprotein7853% helix, 15% strandQ73RI0
BFactor H binding proteinprotein7956% helix, 15% strandQ73RI0

Ligands and binding sites

  • SCN · Thiocyanate ion · ion · 2 copies · chains A, B
  • GOL · Glycerol · additive · chains 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11570.780.9422empty
2610.280.7313empty

Interfaces

1 interface between chains.

  • A–B · 577 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 modified (engineered).

Compared structures

  • 3QZ0 · Structure of Treponema denticola Factor H Binding protein (FhbB), selenomethionine… · the same entry in another collection · chain A against A, TM-score 1.00

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