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Crystal structure of recombinant 4E10 expressed in escherichia COLI with epitope bound

Analyse Crystal structure of recombinant 4E10 expressed in escherichia COLI with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4WY7
Type: protein
Length: 447 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Fab 4E10 heavy chain; Fab 4E10LIGHT chain; Envelope glycoprotein GP160
UniProt: P05880
Pockets: 3 · best druggability 0.59

Structure

x-ray diffraction · 3 distinct chains · 10% helix, 50% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
H	Fab 4E10 heavy chain	protein	220	7% helix, 55% strand	—
L	Fab 4E10LIGHT chain	protein	212	7% helix, 49% strand	—
P	Envelope glycoprotein GP160	protein	15	87% helix, 0% strand	P05880

Ligands and binding sites

GOL · Glycerol · additive · 2 copies · chains L, H

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

Pockets

3 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	502	0.59	0.74	61	empty
2	117	0.43	0.77	21	empty
3	74	0.32	0.74	17	empty

Interfaces

3 interfaces between chains.

H–L · 1600 Å² buried · 10 hydrogen bonds · protein-protein
H–P · 578 Å² buried · 4 hydrogen bonds · protein-protein
L–P · 213 Å² buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

4WY7 · Crystal structure of recombinant 4E10 expressed in Escherichia coli with epitope bound · the same entry in another collection · chain H against H, TM-score 1.00

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Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt P05880
Elsewhere: RCSB PDB 4WY7 · PDBe 4WY7 · UniProt P05880

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