Research workbench

Anti-cocaine antibody M82G2 complexed with benzoylecgonine

Analyse Anti-cocaine antibody M82G2 complexed with benzoylecgonine in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 1QYG
Type: protein
Length: 438 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Fab M82G2, light chain; Fab M82G2, heavy chain
Ligands: BCG
Pockets: 6 · best druggability 0.47

Structure

x-ray diffraction · 2 distinct chains · 8% helix, 51% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
L	Fab M82G2, light chain	protein	218	6% helix, 50% strand	—
H	Fab M82G2, heavy chain	protein	220	10% helix, 52% strand	—

Ligands and binding sites

BCG · 3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid · ligand · chains L, H

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

Pockets

6 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	222	0.47	0.74	32	empty
2	188	0.46	0.75	38	empty
3	105	0.44	0.78	20	BCG
4	97	0.34	0.74	17	empty
5	86	0.33	0.74	18	empty

Interfaces

1 interface between chains.

L–H · 1788 Å² buried · 20 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

1QYG · Anti-cocaine antibody M82G2 complexed with benzoylecgonine · 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
Elsewhere: RCSB PDB 1QYG · PDBe 1QYG

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