MolNFT v1 · #160064 · protein
Crystal structure of human anti staphylococcus aureus antibody stau- 229 Fab
6P9J · Human anti staphylococcus aureus antibody stau-229 Fab…: “Crystal structure of human anti staphylococcus aureus antibody stau- 229 Fab”. X-ray diffraction, 1 ligand (TAM), 4 pockets (best druggability 0.52). MolNFT v1 #160064 on…
- PDB
- 6P9J
- Type
- protein
- Length
- 834 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Human anti staphylococcus aureus antibody stau-229 Fab heavy chain; Human anti…
- Ligands
- TAM
- Pockets
- 4 · best druggability 0.52
Structure
x-ray diffraction · 4 distinct chains · 6% helix, 52% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| H | Human anti staphylococcus aureus antibody stau-229 Fab heavy chain | protein | 211 | 6% helix, 52% strand | — |
| L | Human anti staphylococcus aureus antibody stau-229 Fab light chain | protein | 210 | 9% helix, 53% strand | — |
| A | Human anti staphylococcus aureus antibody stau-229 Fab heavy chain | protein | 210 | 4% helix, 51% strand | — |
| B | Human anti staphylococcus aureus antibody stau-229 Fab light chain | protein | 203 | 7% helix, 52% strand | — |
Ligands and binding sites
- TAM · Tris(hydroxyethyl)aminomethane · ligand · chains H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 282 | 0.52 | 0.75 | 46 | empty |
| 2 | 191 | 0.45 | 0.74 | 33 | empty |
| 3 | 79 | 0.36 | 0.76 | 17 | empty |
| 4 | 111 | 0.34 | 0.73 | 21 | empty |
Interfaces
3 interfaces between chains.
- H–L · 1764 Ų buried · 16 hydrogen bonds · protein-protein
- A–B · 1649 Ų buried · 12 hydrogen bonds · protein-protein
- H–B · 95 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 10 disulfide (disulfide).
Compared structures
- 6P9J · crystal structure of human anti staphylococcus aureus antibody STAU-229 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 6P9J · PDBe 6P9J
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