MolNFT v1 · #160063 · protein
Crystal structure of human anti staphylococcus aureus antibody stau- 399 Fab
6P9I · Human anti staphylococcus aureus antibody stau-399 Fab…: “Crystal structure of human anti staphylococcus aureus antibody stau- 399 Fab”. X-ray diffraction, 8 pockets (best druggability 0.51). MolNFT v1 #160063 on GenesisL1: 3D…
- PDB
- 6P9I
- Type
- protein
- Length
- 870 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Human anti staphylococcus aureus antibody stau-399 Fab heavy chain; Human anti…
- Pockets
- 8 · best druggability 0.51
Structure
x-ray diffraction · 4 distinct chains · 8% helix, 49% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Human anti staphylococcus aureus antibody stau-399 Fab heavy chain | protein | 226 | 11% helix, 48% strand | — |
| B | Human anti staphylococcus aureus antibody stau-399 Fab light chain | protein | 212 | 6% helix, 51% strand | — |
| C | Human anti staphylococcus aureus antibody stau-399 Fab heavy chain | protein | 219 | 9% helix, 47% strand | — |
| D | Human anti staphylococcus aureus antibody stau-399 Fab light chain | protein | 213 | 6% helix, 50% strand | — |
Pockets
8 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 329 | 0.51 | 0.73 | 43 | empty |
| 2 | 93 | 0.46 | 0.81 | 27 | empty |
| 3 | 219 | 0.46 | 0.73 | 32 | empty |
| 4 | 131 | 0.44 | 0.77 | 26 | empty |
| 5 | 115 | 0.44 | 0.78 | 27 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1791 Ų buried · 10 hydrogen bonds · protein-protein
- C–D · 1724 Ų buried · 11 hydrogen bonds · protein-protein
- A–D · 321 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 6P9I · crystal structure of human anti staphylococcus aureus antibody STAU-399 Fab · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Elsewhere: RCSB PDB 6P9I · PDBe 6P9I
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