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Structure of a FHBP(V1.4):PORA(P1.16) chimera. fusion at fhbp position 151.
Analyse Structure of a FHBP(V1.4):PORA(P1.16) chimera. fusion at fhbp position 151. in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5NQP
- Type
- protein
- Length
- 776 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Factor H binding protein variant B16_001,MAJOR outer membrane protein P.IA,FACTOR H…
- UniProt
- Q6VS06, P13415
- Ligands
- CL, SO4
- Pockets
- 5 · best druggability 0.80
Structure
x-ray diffraction · 3 distinct chains · 7% helix, 60% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| C | Factor H binding protein variant B16_001,MAJOR outer membrane protein P.IA,FACTOR H binding protein variant B16_001 | protein | 257 | 6% helix, 61% strand | Q6VS06, P13415 |
| A | Factor H binding protein variant B16_001,MAJOR outer membrane protein P.IA,FACTOR H binding protein variant B16_001 | protein | 264 | 7% helix, 59% strand | Q6VS06, P13415 |
| B | Factor H binding protein variant B16_001,MAJOR outer membrane protein P.IA,FACTOR H binding protein variant B16_001 | protein | 255 | 7% helix, 61% strand | Q6VS06, P13415 |
Ligands and binding sites
- CL · Chloride ion · ion · 4 copies · chains C, A
- SO4 · Sulfate ion · ion · 3 copies · chains C, A, B
- EDO · 1,2-ethanediol · additive · 11 copies · chains C, A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 780 | 0.80 | 0.84 | 93 | CL, EDO |
| 2 | 130 | 0.59 | 0.85 | 29 | CL |
| 3 | 201 | 0.49 | 0.76 | 28 | EDO |
| 4 | 63 | 0.37 | 0.79 | 18 | empty |
| 5 | 99 | 0.37 | 0.75 | 18 | EDO |
Interfaces
3 interfaces between chains.
- A–B · 532 Ų buried · 11 hydrogen bonds · protein-protein
- C–A · 373 Ų buried · 3 hydrogen bonds · protein-protein
- C–B · 354 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 5NQP · Structure of a fHbp(V1.4):PorA(P1.16) chimera. Fusion at fHbp position 151. · the same entry in another collection · chain C against C, 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 B against A, TM-score 0.34
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q6VS06
- Every structure of UniProt P13415
- Elsewhere: RCSB PDB 5NQP · PDBe 5NQP · UniProt Q6VS06 · UniProt P13415
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