MolNFT v1 · #186405 · protein
Crystal structure of pfcsp peptide 21 with vaccine-elicited human anti-malaria antibody M43.160
7RCS · Antibody M43.160 heavy chain: “Crystal structure of pfcsp peptide 21 with vaccine-elicited human anti-malaria antibody M43.160”. X-ray diffraction, 9 pockets (best druggability 0.79). MolNFT v1 #186405 on GenesisL1: 3D structure…
- PDB
- 7RCS
- Type
- protein
- Length
- 902 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Antibody M43.160 heavy chain; Antibody M43.160 light chain; Circumsporozoite protein
- UniProt
- P02893
- Pockets
- 9 · best druggability 0.79
Structure
x-ray diffraction · 4 distinct chains · 8% helix, 50% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| H, A | Antibody M43.160 heavy chain | protein | 220 | 11% helix, 53% strand | — |
| L, B | Antibody M43.160 light chain | protein | 217 | 6% helix, 53% strand | — |
| D | Circumsporozoite protein | protein | 13 | 0% helix, 8% strand | P02893 |
| C | Circumsporozoite protein | protein | 15 | 0% helix, 7% strand | P02893 |
Pockets
9 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1104 | 0.79 | 0.81 | 81 | empty |
| 2 | 1044 | 0.75 | 0.78 | 119 | empty |
| 3 | 218 | 0.69 | 0.86 | 32 | empty |
| 4 | 72 | 0.53 | 0.86 | 23 | empty |
| 5 | 68 | 0.39 | 0.79 | 15 | empty |
Interfaces
10 interfaces between chains.
- H–L · 1955 Ų buried · 18 hydrogen bonds · protein-protein
- A–B · 1906 Ų buried · 14 hydrogen bonds · protein-protein
- H–A · 581 Ų buried · 3 hydrogen bonds · protein-protein
- L–C · 481 Ų buried · 4 hydrogen bonds · protein-protein
- H–C · 463 Ų buried · 13 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 7RCS · Crystal structure of PfCSP peptide 21 with vaccine-elicited human anti-malaria antibody… · the same entry in another collection · chain C against C, TM-score 1.00
- P02893 · AlphaFold monomer V2.0 prediction for circumsporozoite protein (P02893) · a predicted model of the same protein · chain D against A, TM-score 0.30
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 P02893
- Elsewhere: RCSB PDB 7RCS · PDBe 7RCS · UniProt P02893
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