MolNFT v1 · #91838 · protein

Heat-labile enterotoxin ilt-IIBB5 S74A mutant

4FP5 · Heat-labile enterotoxin iib, B chain: “Heat-labile enterotoxin ilt-IIBB5 S74A mutant”. X-ray diffraction, 1 ligand (SO4), 1 pocket (best druggability 0.75). MolNFT v1 #91838 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 4FP5
Type: protein
Length: 490 residues
Chains: 5
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Heat-labile enterotoxin iib, B chain
UniProt: P43529
Ligands: SO4
Pockets: 1 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 27% helix, 41% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
D, E, F, G, H	Heat-labile enterotoxin iib, B chain	protein	98	27% helix, 41% strand	P43529

Ligands and binding sites

SO4 · Sulfate ion · ion · chains F, G

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

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1007	0.75	0.77	73	empty

Interfaces

5 interfaces between chains.

D–H · 1174 Å² buried · 14 hydrogen bonds · protein-protein
G–H · 1171 Å² buried · 15 hydrogen bonds · protein-protein
D–E · 1154 Å² buried · 13 hydrogen bonds · protein-protein
F–G · 1149 Å² buried · 13 hydrogen bonds · protein-protein
E–F · 1093 Å² buried · 14 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 5 disulfide (disulfide).

Compared structures

4FP5 · Heat-labile enterotoxin ILT-IIbB5 S74A mutant · 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 H 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 4FP5 · PDBe 4FP5 · UniProt P43529

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