MolNFT v1 · #19184 · protein

Escherichia COLI heat labile enterotoxin type iib B-pentamer

1QCB · Protein (heat labile enterotoxin type iib B-pentamer): “Escherichia COLI heat labile enterotoxin type iib B-pentamer”. X-ray diffraction, 3 pockets (best druggability 0.68). MolNFT v1 #19184 on GenesisL1: 3D structure, binding sites…

PDB: 1QCB
Type: protein
Length: 495 residues
Chains: 5
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Protein (heat labile enterotoxin type iib B-pentamer)
UniProt: P43529
Pockets: 3 · best druggability 0.68

Structure

x-ray diffraction · 1 distinct chain · 25% helix, 38% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
D, E, F, G, H	Protein (heat labile enterotoxin type iib B-pentamer)	protein	99	25% helix, 38% strand	P43529

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	612	0.68	0.77	34	empty
2	139	0.42	0.75	21	empty
3	109	0.39	0.76	19	empty

Interfaces

5 interfaces between chains.

E–F · 1255 Å² buried · 15 hydrogen bonds · protein-protein
D–E · 1231 Å² buried · 14 hydrogen bonds · protein-protein
F–G · 1189 Å² buried · 17 hydrogen bonds · protein-protein
D–H · 1178 Å² buried · 15 hydrogen bonds · protein-protein
G–H · 1162 Å² buried · 18 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 5 disulfide (disulfide).

Compared structures

1QCB · Escherichia COLI heat labile enterotoxin type iib B-pentamer · the same entry in another collection · chain H against H, TM-score 1.00
P43529 · AlphaFold monomer V2.0 prediction for heat-labile enterotoxin iib, B chain (P43529) · a predicted model of the same protein · chain E against A, TM-score 0.99

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 P43529
Elsewhere: RCSB PDB 1QCB · PDBe 1QCB · UniProt P43529

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