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Crystal structure of malaria transmission-blocking antigen PFS48/45 6C in complex with antibody TB31F

Analyse Crystal structure of malaria transmission-blocking antigen PFS48/45 6C in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6E63
Type: protein
Length: 1,109 residues
Chains: 6
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: PF48/45; TB31F Fab heavy chain; TB31F Fab light chain
UniProt: A8QVT1
Pockets: 15 · best druggability 0.55

Structure

x-ray diffraction · 6 distinct chains · 7% helix, 52% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
P	PF48/45	protein	128	4% helix, 55% strand	A8QVT1
H	TB31F Fab heavy chain	protein	216	8% helix, 52% strand	—
L	TB31F Fab light chain	protein	215	6% helix, 51% strand	—
A	PF48/45	protein	124	4% helix, 55% strand	A8QVT1
B	TB31F Fab heavy chain	protein	214	8% helix, 52% strand	—
C	TB31F Fab light chain	protein	212	9% helix, 51% strand	—

Ligands and binding sites

GOL · Glycerol · additive · 2 copies · chains P, H, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

15 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	308	0.55	0.76	35	empty
2	294	0.55	0.76	36	empty
3	215	0.47	0.74	37	empty
4	201	0.47	0.75	32	empty
5	182	0.43	0.73	26	empty

Interfaces

8 interfaces between chains.

H–L · 1878 Å² buried · 17 hydrogen bonds · protein-protein
B–C · 1748 Å² buried · 16 hydrogen bonds · protein-protein
L–B · 771 Å² buried · 21 hydrogen bonds · protein-protein
P–H · 594 Å² buried · 14 hydrogen bonds · protein-protein
A–B · 584 Å² buried · 13 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 15 disulfide (disulfide).

Compared structures

6E63 · Crystal structure of malaria transmission-blocking antigen Pfs48/45 6C in complex with… · the same entry in another collection · chain C against C, 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 A8QVT1
Elsewhere: RCSB PDB 6E63 · PDBe 6E63 · UniProt A8QVT1

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