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Cryo-EM structure of the circumsporozoite protein of plasmodium falciparum with a vaccine-elicited antibody reveals maturation of inter-antibody contacts

Analyse Cryo-EM structure of the circumsporozoite protein of plasmodium falciparum with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

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).

ChainMoleculeTypeResiduesSecondary structureUniProt
ECircumsporozoite proteinprotein900% helix, 0% strand—
H, A, B, C, D, F, G, I, J, K, MFAB311 heavy chainprotein1208% helix, 54% strandV9HW68
L, N, O, P, Q, R, S, T, U, V, WFAB311 light chainprotein1123% helix, 47% strand—

Pockets

20 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15110.670.7867empty
25360.670.7767empty
35420.660.7765empty
44960.660.7858empty
55170.660.7761empty

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

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