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Human insulin in complex with cucurbit[7]uril

Analyse Human insulin in complex with cucurbit[7]uril in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3Q6E
Type: protein
Length: 101 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v2 / PDB Bank
Contract: 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner: 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution: 2.05
Source: Homo sapiens
Molecule: Insulin A chain; Insulin B chain
UniProt: P01308
Ligands: QQ7

Structure

x-ray diffraction · resolution 2.05 · 3 distinct chains · 50% helix, 9% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, C	Insulin A chain	protein	21	57% helix, 5% strand	P01308
B	Insulin B chain	protein	29	48% helix, 10% strand	P01308
D	Insulin B chain	protein	30	47% helix, 10% strand	P01308

Ligands and binding sites

QQ7 · cucurbit[7]uril · ligand · chains D

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

Interfaces

5 interfaces between chains.

A–B · 787 Å² buried · 11 hydrogen bonds · protein-protein
C–D · 728 Å² buried · 11 hydrogen bonds · protein-protein
B–D · 605 Å² buried · 8 hydrogen bonds · protein-protein
B–C · 70 Å² buried · 1 hydrogen bond · protein-protein
A–D · 62 Å² buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

3Q6E · Human insulin in complex with CUCURBIT[7]URIL · the same entry in another collection · chain A against A, 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
Every structure of UniProt P01308
Elsewhere: RCSB PDB 3Q6E · PDBe 3Q6E · UniProt P01308

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