MolNFT v1 · #22354 · protein
The crystal structure of an NNA7 Fab that recognizes an N-type blood group antigen
1T2Q · Fab NNA7 heavy chain: “The crystal structure of an NNA7 Fab that recognizes an N-type blood group antigen”. X-ray diffraction, 5 pockets (best druggability 0.52). MolNFT v1 #22354 on GenesisL1: 3D structure, binding sites and…
- PDB
- 1T2Q
- Type
- protein
- Length
- 434 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fab NNA7 heavy chain; Fab NNA7 light chain
- UniProt
- P01868
- Pockets
- 5 · best druggability 0.52
Structure
x-ray diffraction · 2 distinct chains · 6% helix, 52% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| L | Fab NNA7 heavy chain | protein | 217 | 6% helix, 51% strand | — |
| H | Fab NNA7 light chain | protein | 217 | 6% helix, 53% strand | P01868 |
Ligands and binding sites
- GOL · Glycerol · additive · 2 copies · chains L, H
- MES · 2-(N-morpholino)-ethanesulfonic acid · additive · chains H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 51 | 0.52 | 0.89 | 17 | empty |
| 2 | 131 | 0.39 | 0.73 | 34 | empty |
| 3 | 91 | 0.34 | 0.74 | 23 | empty |
| 4 | 98 | 0.33 | 0.73 | 20 | empty |
| 5 | 79 | 0.31 | 0.74 | 17 | empty |
Interfaces
1 interface between chains.
- L–H · 1756 Ų buried · 19 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 1T2Q · The Crystal Structure of an NNA7 Fab that recognizes an N-type blood group antigen · the same entry in another collection · chain L against L, TM-score 1.00
- P01868 · AlphaFold monomer V2.0 prediction for ig gamma-1 chain C region secreted form (P01868) · a predicted model of the same protein · chain H against A, TM-score 0.49
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 P01868
- Elsewhere: RCSB PDB 1T2Q · PDBe 1T2Q · UniProt P01868
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