MolNFT v1 · #156861 · protein
Cryo-EM structure of the circumsporozoite protein of plasmodium falciparum with a vaccine-elicited antibody reveals maturation of inter-antibody contacts
6MHG: “Cryo-EM structure of the circumsporozoite protein of plasmodium falciparum with a vaccine-elicited antibody…”. Electron microscopy, 20 pockets (best druggability 0.67). MolNFT v1 #156861 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6MHG
- Type
- protein
- Length
- 2,642 residues
- Chains
- 23
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Circumsporozoite protein; FAB311 heavy chain; FAB311 light chain
- UniProt
- V9HW68
- Pockets
- 20 · best druggability 0.67
Structure
electron microscopy · 3 distinct chains · 4% helix, 37% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| E | Circumsporozoite protein | protein | 90 | 0% helix, 0% strand | — |
| H, A, B, C, D, F, G, I, J, K, M | FAB311 heavy chain | protein | 120 | 8% helix, 54% strand | V9HW68 |
| L, N, O, P, Q, R, S, T, U, V, W | FAB311 light chain | protein | 112 | 3% helix, 47% strand | — |
Pockets
20 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 511 | 0.67 | 0.78 | 67 | empty |
| 2 | 536 | 0.67 | 0.77 | 67 | empty |
| 3 | 542 | 0.66 | 0.77 | 65 | empty |
| 4 | 496 | 0.66 | 0.78 | 58 | empty |
| 5 | 517 | 0.66 | 0.77 | 61 | empty |
Interfaces
67 interfaces between chains.
- K–V · 989 Ų buried · 14 hydrogen bonds · protein-protein
- J–U · 981 Ų buried · 13 hydrogen bonds · protein-protein
- F–R · 976 Ų buried · 14 hydrogen bonds · protein-protein
- H–L · 976 Ų buried · 13 hydrogen bonds · protein-protein
- B–O · 975 Ų buried · 16 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 22 disulfide (disulfide).
Compared structures
- 6MHG · Cryo-EM structure of the circumsporozoite protein of Plasmodium falciparum with a… · the same entry in another collection · chain E against E, 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 V9HW68
- Elsewhere: RCSB PDB 6MHG · PDBe 6MHG · UniProt V9HW68
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