MolNFT v1 · #146262 · protein

FAB/EPITOPE complex of mouse monoclonal antibody 6B2 targeting a non- phosphorylated tau epitope.

6DCA · Fab light chain: “FAB/EPITOPE complex of mouse monoclonal antibody 6B2 targeting a non- phosphorylated tau epitope.”. X-ray diffraction, 2 ligands (NH2, PO4), 20 pockets (best druggability 0.81). MolNFT v1 #146262 on GenesisL1: 3D…

PDB: 6DCA
Type: protein
Length: 1,736 residues
Chains: 12
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Fab light chain; Fab heavy chain; Microtubule-associated protein tau
UniProt: P10636
Ligands: NH2, PO4
Pockets: 20 · best druggability 0.81

Structure

x-ray diffraction · 3 distinct chains · 7% helix, 50% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
L, M, N, O	Fab light chain	protein	215	6% helix, 53% strand	—
H, I, J, K	Fab heavy chain	protein	213	8% helix, 48% strand	—
P, Q, R, S	Microtubule-associated protein tau	protein	6	0% helix, 0% strand	P10636

Ligands and binding sites

NH2 · Amino group · ion · 4 copies · chains H, P, I, Q, J, R, K, S
PO4 · Phosphate ion · ion · 4 copies · chains L, H, P, M, I, Q, N, J, R, O, K, S

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

Pockets

20 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	680	0.81	0.86	81	empty
2	490	0.78	0.85	61	empty
3	150	0.66	0.87	26	empty
4	122	0.65	0.88	24	empty
5	80	0.60	0.89	25	empty

Interfaces

23 interfaces between chains.

O–K · 1749 Å² buried · 14 hydrogen bonds · protein-protein
M–I · 1697 Å² buried · 14 hydrogen bonds · protein-protein
N–J · 1684 Å² buried · 14 hydrogen bonds · protein-protein
L–H · 1664 Å² buried · 19 hydrogen bonds · protein-protein
L–N · 1062 Å² buried · 12 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 16 disulfide (disulfide).

Compared structures

6DCA · Fab/epitope complex of mouse monoclonal antibody 6B2 targeting a non-phosphorylated tau… · the same entry in another collection · chain L against L, 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 6DCA · PDBe 6DCA · UniProt P10636

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