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Structure of a FHBP(V1.1):PORA(P1.16) chimera. fusion at fhbp position 294.

Analyse Structure of a FHBP(V1.1):PORA(P1.16) chimera. fusion at fhbp position 294. in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5NQX
Type
protein
Length
1,257 residues
Chains
5
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Factor H binding PROTEIN,MAJOR outer membrane protein P.IA, factor H binding protein
UniProt
Q9JXV4, P13415
Pockets
14 · best druggability 0.59

Structure

x-ray diffraction · 4 distinct chains · 6% helix, 61% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
CFactor H binding PROTEIN,MAJOR outer membrane protein P.IA, factor H binding proteinprotein2506% helix, 60% strandQ9JXV4, P13415
A, DFactor H binding PROTEIN,MAJOR outer membrane protein P.IA, factor H binding proteinprotein2556% helix, 61% strandQ9JXV4, P13415
BFactor H binding PROTEIN,MAJOR outer membrane protein P.IA, factor H binding proteinprotein2476% helix, 61% strandQ9JXV4, P13415
EFactor H binding PROTEIN,MAJOR outer membrane protein P.IA, factor H binding proteinprotein2506% helix, 62% strandQ9JXV4, P13415

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14910.590.7457empty
21460.500.7919empty
31450.400.7424empty
4970.380.7617empty
5740.370.7815empty

Interfaces

6 interfaces between chains.

  • A–E · 916 Ų buried · 19 hydrogen bonds · protein-protein
  • C–D · 583 Ų buried · 8 hydrogen bonds · protein-protein
  • A–B · 556 Ų buried · 9 hydrogen bonds · protein-protein
  • C–E · 193 Ų buried · 0 hydrogen bonds · protein-protein
  • D–E · 171 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 5NQX · Structure of a fHbp(V1.1):PorA(P1.16) chimera. Fusion at fHbp position 294. · the same entry in another collection · chain E against E, TM-score 1.00
  • P13415 · AlphaFold monomer V2.0 prediction for major outer membrane protein P.IA (P13415) · a predicted model of the same protein · chain A against A, TM-score 0.35

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