MolNFT v1 · #179046 · protein + DNA
Human complement factor B inhibited by a slow off-rate modified aptamer of 31 bases
7JTQ: “Human complement factor B inhibited by a slow off-rate modified aptamer of 31 bases”. X-ray diffraction, 20 pockets (best druggability 0.85). MolNFT v1 #179046 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7JTQ
- Type
- protein + DNA
- Length
- 1,468 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Complement factor B; DNA (32-mer)
- EC
- 3.4.21.47
- UniProt
- P00751
- Pockets
- 20 · best druggability 0.85
Structure
x-ray diffraction · 2 distinct chains · 18% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Complement factor B (EC 3.4.21.47) | protein | 703 | 18% helix, 28% strand | P00751 |
| B, D | DNA (32-mer) | dna | 31 | — | — |
Pockets
20 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 863 | 0.85 | 0.87 | 93 | empty |
| 2 | 637 | 0.81 | 0.86 | 70 | empty |
| 3 | 571 | 0.79 | 0.85 | 61 | empty |
| 4 | 454 | 0.63 | 0.77 | 44 | empty |
| 5 | 352 | 0.62 | 0.78 | 48 | empty |
Interfaces
3 interfaces between chains.
- A–C · 986 Ų buried · 23 hydrogen bonds · protein-protein
- C–D · 890 Ų buried · 13 hydrogen bonds · protein-nucleic
- A–B · 878 Ų buried · 15 hydrogen bonds · protein-nucleic
Modifications
Observed in the structure: 32 modified, 22 disulfide (nucleotide modification, disulfide).
Compared structures
- 7JTQ · Human Complement Factor B Inhibited by a Slow Off-Rate Modified Aptamer of 31 Bases · the same entry in another collection · chain A against A, TM-score 1.00
- P00751 · AlphaFold monomer V2.0 prediction for complement factor B (P00751) · a predicted model of the same protein · chain C against A, TM-score 0.59
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 P00751
- Elsewhere: RCSB PDB 7JTQ · PDBe 7JTQ · UniProt P00751
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