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Anti-cocaine antibody 7.5.21, crystal form II

Analyse Anti-cocaine antibody 7.5.21, crystal form II in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 2A77
Type: protein
Length: 433 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Immunoglobulin light chain; Immunoglobulin heavy chain
Ligands: SO4
Pockets: 5 · best druggability 0.55

Structure

x-ray diffraction · 2 distinct chains · 6% helix, 51% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
L	Immunoglobulin light chain	protein	214	6% helix, 52% strand	—
H	Immunoglobulin heavy chain	protein	219	7% helix, 50% strand	—

Ligands and binding sites

SO4 · Sulfate ion · ion · 6 copies · chains L, H
GOL · Glycerol · additive · 7 copies · chains L, H

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	362	0.55	0.74	51	GOL
2	203	0.51	0.77	30	empty
3	78	0.36	0.76	20	empty
4	86	0.36	0.75	20	GOL
5	85	0.34	0.75	19	empty

Interfaces

1 interface between chains.

L–H · 1827 Å² buried · 14 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

2A77 · Anti-Cocaine Antibody 7.5.21, Crystal Form II · 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 2A77 · PDBe 2A77

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