MolNFT v1 · #186679 · protein
Antibody 2E10.E9 in complex with P. vivax csp peptide angagnqpgangagnqpg
7RM0 · 2E10.E9 Fab heavy chain: “Antibody 2E10.E9 in complex with P. vivax csp peptide angagnqpgangagnqpg”. X-ray diffraction, 20 pockets (best druggability 0.69). MolNFT v1 #186679 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 7RM0
- Type
- protein
- Length
- 1,784 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 2E10.E9 Fab heavy chain; 2E10.E9 Fab light chain; Peptide from circumsporozoite protein…
- Pockets
- 20 · best druggability 0.69
Structure
x-ray diffraction · 7 distinct chains · 6% helix, 49% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, G | 2E10.E9 Fab heavy chain | protein | 218 | 6% helix, 48% strand | — |
| B, H | 2E10.E9 Fab light chain | protein | 218 | 6% helix, 51% strand | — |
| P, S | Peptide from circumsporozoite protein variant VK247 | protein | 9 | 0% helix, 0% strand | — |
| C, E | 2E10.E9 Fab heavy chain | protein | 219 | 7% helix, 50% strand | — |
| D, F | 2E10.E9 Fab light chain | protein | 219 | 5% helix, 52% strand | — |
| Q | Peptide from circumsporozoite protein variant VK247 | protein | 10 | 0% helix, 10% strand | — |
| R | Peptide from circumsporozoite protein variant VK247 | protein | 8 | 0% helix, 13% strand | — |
Pockets
20 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 702 | 0.69 | 0.77 | 86 | empty |
| 2 | 401 | 0.66 | 0.79 | 35 | empty |
| 3 | 538 | 0.63 | 0.75 | 52 | empty |
| 4 | 513 | 0.59 | 0.74 | 65 | empty |
| 5 | 364 | 0.54 | 0.74 | 56 | empty |
Interfaces
18 interfaces between chains.
- C–D · 1899 Ų buried · 14 hydrogen bonds · protein-protein
- E–F · 1873 Ų buried · 10 hydrogen bonds · protein-protein
- A–B · 1767 Ų buried · 14 hydrogen bonds · protein-protein
- G–H · 1743 Ų buried · 11 hydrogen bonds · protein-protein
- B–H · 675 Ų buried · 15 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 20 disulfide (disulfide).
Compared structures
- 7RM0 · Antibody 2E10.E9 in complex with P. vivax CSP peptide ANGAGNQPGANGAGNQPG · 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 7RM0 · PDBe 7RM0
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