Research workbench

JEL42 FAB/HPR complex

Analyse JEL42 FAB/HPR complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 2JEL
Type: protein
Length: 520 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: JEL42 Fab fragment; Histidine-containing protein
UniProt: P0AA04
Ligands: SO4
Pockets: 6 · best druggability 0.42

Structure

x-ray diffraction · 3 distinct chains · 11% helix, 50% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
L	JEL42 Fab fragment	protein	217	6% helix, 55% strand	—
H	JEL42 Fab fragment	protein	218	7% helix, 54% strand	—
P	Histidine-containing protein	protein	85	34% helix, 27% strand	P0AA04

Ligands and binding sites

SO4 · Sulfate ion · ion · 2 copies · chains L, P

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	150	0.42	0.74	24	empty
2	121	0.38	0.74	18	empty
3	69	0.34	0.76	19	SO4
4	52	0.28	0.75	15	empty
5	65	0.27	0.73	17	empty

Interfaces

3 interfaces between chains.

L–H · 1740 Å² buried · 15 hydrogen bonds · protein-protein
H–P · 584 Å² buried · 8 hydrogen bonds · protein-protein
L–P · 298 Å² buried · 6 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

2JEL · JEL42 FAB/HPR complex · the same entry in another collection · chain H against H, TM-score 1.00
P0AA04 · AlphaFold monomer V2.0 prediction for phosphocarrier protein hpr (P0AA04) · a predicted model of the same protein · chain P against A, TM-score 0.97

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 P0AA04
Elsewhere: RCSB PDB 2JEL · PDBe 2JEL · UniProt P0AA04

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.