Research workbench
Crystal structure of the G91S mutant of the NNA7 Fab
Analyse Crystal structure of the G91S mutant of the NNA7 Fab in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2D03
- Type
- protein
- Length
- 429 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Anti-glycophorin a type N immunoglobulin light chain; Anti-glycophorin a type N…
- Pockets
- 4 · best druggability 0.47
Structure
x-ray diffraction · 2 distinct chains · 6% helix, 52% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| L | Anti-glycophorin a type N immunoglobulin light chain | protein | 217 | 6% helix, 51% strand | — |
| H | Anti-glycophorin a type N immunoglobulin heavy chain | protein | 212 | 6% helix, 54% strand | — |
Ligands and binding sites
- GOL · Glycerol · additive · 7 copies · chains L, H
- MES · 2-(N-morpholino)-ethanesulfonic acid · additive · chains H
- PEG · Di(hydroxyethyl)ether · additive · chains L, 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 254 | 0.47 | 0.73 | 48 | GOL |
| 2 | 67 | 0.32 | 0.75 | 22 | empty |
| 3 | 77 | 0.31 | 0.73 | 18 | empty |
| 4 | 53 | 0.28 | 0.75 | 20 | empty |
Interfaces
1 interface between chains.
- L–H · 1717 Ų buried · 21 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 2D03 · Crystal structure of the G91S mutant of the NNA7 Fab · the same entry in another collection · chain L against L, 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 2D03 · PDBe 2D03
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