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Crystal structure of DC8E8 Fab in the complex with a 14-mer tau peptide at pH 8.5

Analyse Crystal structure of DC8E8 Fab in the complex with a 14-mer tau peptide at pH… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 5MO3
Type: protein
Length: 446 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Microtubule-associated protein tau; Fab of monoclonal antibody, heavy chain; Fab of…
UniProt: P10636
Ligands: GLC
Pockets: 4 · best druggability 0.58

Structure

x-ray diffraction · 3 distinct chains · 7% helix, 52% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Microtubule-associated protein tau	protein	8	0% helix, 0% strand	P10636
H	Fab of monoclonal antibody, heavy chain	protein	220	8% helix, 52% strand	—
L	Fab of monoclonal antibody, light chain	protein	218	6% helix, 53% strand	—

Ligands and binding sites

GLC · alpha-D-glucopyranose · sugar · 2 copies · chains L
PGE · Triethylene glycol · additive · 4 copies · chains H, L

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

Pockets

4 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	419	0.58	0.75	53	empty
2	69	0.49	0.84	23	empty
3	171	0.45	0.75	29	empty
4	119	0.37	0.74	23	PGE

Interfaces

3 interfaces between chains.

H–L · 1896 Å² buried · 18 hydrogen bonds · protein-protein
A–H · 312 Å² buried · 6 hydrogen bonds · protein-protein
A–L · 217 Å² buried · 6 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide, 1 modified (disulfide, cyclization).

Compared structures

5MO3 · Crystal structure of DC8E8 Fab in the complex with a 14-mer tau peptide at pH 8.5 · the same entry in another collection · chain A against A, 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 P10636
Elsewhere: RCSB PDB 5MO3 · PDBe 5MO3 · UniProt P10636

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