MolNFT v1 · #166189 · protein
Crystal structure of human monoclonal antibody H7.200 in complex with H7N9 hemagglutinin HA1
6UIG: “Crystal structure of human monoclonal antibody H7.200 in complex with H7N9 hemagglutinin HA1”. X-ray diffraction, 1 ligand (NAG), 8 pockets (best druggability 0.63). MolNFT v1 #166189 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6UIG
- Type
- protein
- Length
- 1,395 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hemagglutinin; H7.200 Fab heavy chain; H7.200 Fab light chain
- UniProt
- A0A4Y5QYN9
- Ligands
- NAG
- Pockets
- 8 · best druggability 0.63
Structure
x-ray diffraction · 5 distinct chains · 7% helix, 49% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| G, A | Hemagglutinin | protein | 269 | 10% helix, 39% strand | A0A4Y5QYN9 |
| H | H7.200 Fab heavy chain | protein | 217 | 5% helix, 52% strand | — |
| L | H7.200 Fab light chain | protein | 212 | 5% helix, 50% strand | — |
| B | H7.200 Fab heavy chain | protein | 218 | 6% helix, 52% strand | — |
| C | H7.200 Fab light chain | protein | 210 | 6% helix, 53% strand | — |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains G, A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 634 | 0.63 | 0.74 | 67 | empty |
| 2 | 560 | 0.61 | 0.74 | 58 | empty |
| 3 | 165 | 0.59 | 0.82 | 27 | empty |
| 4 | 179 | 0.57 | 0.81 | 27 | empty |
| 5 | 303 | 0.51 | 0.74 | 29 | empty |
Interfaces
7 interfaces between chains.
- H–L · 1765 Ų buried · 14 hydrogen bonds · protein-protein
- B–C · 1744 Ų buried · 15 hydrogen bonds · protein-protein
- L–C · 898 Ų buried · 10 hydrogen bonds · protein-protein
- G–H · 662 Ų buried · 10 hydrogen bonds · protein-protein
- A–B · 652 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 14 disulfide, 2 glycan (disulfide, N-glycosylation).
Compared structures
- 6UIG · Crystal structure of human monoclonal antibody H7.200 in complex with H7N9 hemagglutinin… · the same entry in another collection · chain G against G, 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
- Every structure of UniProt A0A4Y5QYN9
- Elsewhere: RCSB PDB 6UIG · PDBe 6UIG · UniProt A0A4Y5QYN9
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