MolNFT v1 · #150836 · protein

Plasmodium falciparum PFS48/45 C-terminal domain bound to monoclonal antibody 85RF45.1

6H5N · Gametocyte surface protein P45/48: “Plasmodium falciparum PFS48/45 C-terminal domain bound to monoclonal antibody 85RF45.1”. X-ray diffraction, 17 pockets (best druggability 0.61). MolNFT v1 #150836 on GenesisL1: 3D structure…

PDB: 6H5N
Type: protein
Length: 1,094 residues
Chains: 6
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Gametocyte surface protein P45/48; Antibody 85RF45.1 light chain; Antibody 85RF45.1 heavy…
UniProt: Q8I6T1
Pockets: 17 · best druggability 0.61

Structure

x-ray diffraction · 4 distinct chains · 5% helix, 52% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Gametocyte surface protein P45/48	protein	128	7% helix, 54% strand	Q8I6T1
B, E	Antibody 85RF45.1 light chain	protein	212	7% helix, 51% strand	—
C, F	Antibody 85RF45.1 heavy chain	protein	207	3% helix, 51% strand	—
D	Gametocyte surface protein P45/48	protein	128	4% helix, 55% strand	Q8I6T1

Pockets

17 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	224	0.61	0.81	24	empty
2	387	0.57	0.75	38	empty
3	321	0.55	0.75	53	empty
4	188	0.52	0.77	22	empty
5	202	0.45	0.74	38	empty

Interfaces

7 interfaces between chains.

E–F · 1858 Å² buried · 15 hydrogen bonds · protein-protein
B–C · 1851 Å² buried · 15 hydrogen bonds · protein-protein
A–D · 812 Å² buried · 14 hydrogen bonds · protein-protein
A–C · 604 Å² buried · 13 hydrogen bonds · protein-protein
D–F · 603 Å² buried · 13 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 14 disulfide (disulfide).

Compared structures

6H5N · Plasmodium falciparum Pfs48/45 C-terminal domain bound to monoclonal antibody 85RF45.1 · the same entry in another collection · chain F against F, TM-score 1.00
Q8I6T1 · AlphaFold monomer V2.0 prediction for gametocyte surface protein P45/48 (Q8I6T1) · a predicted model of the same protein · chain D against A, TM-score 0.97

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 Q8I6T1
Elsewhere: RCSB PDB 6H5N · PDBe 6H5N · UniProt Q8I6T1

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