MolNFT v1 · #144290 · protein
Therapeutic human monoclonal antibody MR191 bound to a marburgvirus glycoprotein
6BP2 · Envelope glycoprotein: “Therapeutic human monoclonal antibody MR191 bound to a marburgvirus glycoprotein”. X-ray diffraction, 3 ligands (NAG, BMA, MAN), 8 pockets (best druggability 0.58). MolNFT v1 #144290 on GenesisL1: 3D…
- PDB
- 6BP2
- Type
- protein
- Length
- 729 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Envelope glycoprotein; Envelope glycoprotein GP2; MR191 Fab heavy chain; MR191 Fab light…
- UniProt
- A0A0U2XLP5
- Ligands
- NAG, BMA, MAN
- Pockets
- 8 · best druggability 0.58
Structure
x-ray diffraction · 4 distinct chains · 14% helix, 42% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Envelope glycoprotein | protein | 148 | 14% helix, 42% strand | A0A0U2XLP5 |
| B | Envelope glycoprotein GP2 | protein | 147 | 33% helix, 13% strand | A0A0U2XLP5 |
| H | MR191 Fab heavy chain | protein | 219 | 5% helix, 54% strand | — |
| L | MR191 Fab light chain | protein | 215 | 9% helix, 49% strand | — |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 6 copies · chains A, B
- BMA · beta-D-mannopyranose · sugar · 2 copies
- MAN · alpha-D-mannopyranose · sugar · 2 copies
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 478 | 0.58 | 0.74 | 47 | empty |
| 2 | 249 | 0.54 | 0.76 | 33 | empty |
| 3 | 210 | 0.49 | 0.75 | 32 | empty |
| 4 | 94 | 0.47 | 0.81 | 19 | empty |
| 5 | 66 | 0.40 | 0.80 | 12 | empty |
Interfaces
4 interfaces between chains.
- A–B · 2635 Ų buried · 37 hydrogen bonds · protein-protein
- H–L · 1787 Ų buried · 18 hydrogen bonds · protein-protein
- A–H · 627 Ų buried · 13 hydrogen bonds · protein-protein
- A–L · 342 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide, 3 glycan (disulfide, N-glycosylation).
Compared structures
- 6BP2 · Therapeutic human monoclonal antibody MR191 bound to a marburgvirus glycoprotein · 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
- Every structure of UniProt A0A0U2XLP5
- Elsewhere: RCSB PDB 6BP2 · PDBe 6BP2 · UniProt A0A0U2XLP5
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