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Crystal structure of FAB366 in complex with NPNA3 peptide from circumsporozoite protein

Analyse Crystal structure of FAB366 in complex with NPNA3 peptide from circumsporozoite… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6WG0
Type: protein
Length: 447 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: FAB366 heavy chain; FAB366 light chain; NPNA3 peptide
Pockets: 2 · best druggability 0.61

Structure

x-ray diffraction · 3 distinct chains · 8% helix, 50% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
H	FAB366 heavy chain	protein	223	12% helix, 51% strand	—
L	FAB366 light chain	protein	213	5% helix, 51% strand	—
P	NPNA3 peptide	protein	11	0% helix, 0% strand	—

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	495	0.61	0.75	64	empty
2	105	0.38	0.75	22	empty

Interfaces

3 interfaces between chains.

H–L · 2009 Å² buried · 13 hydrogen bonds · protein-protein
H–P · 418 Å² buried · 6 hydrogen bonds · protein-protein
L–P · 287 Å² buried · 15 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 5 disulfide (disulfide).

Compared structures

6WG0 · Crystal structure of Fab366 in complex with NPNA3 peptide from circumsporozoite protein · the same entry in another collection · chain H against H, 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
Elsewhere: RCSB PDB 6WG0 · PDBe 6WG0

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