MolNFT v1 · #1862 · protein

Insulin complexed with 4-hydroxybenzamide

1BEN · Human insulin: “Insulin complexed with 4-hydroxybenzamide”. X-ray diffraction, 3 ligands (HBD, ZN, CL). MolNFT v1 #1862 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1BEN
Type: protein
Length: 100 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Human insulin
UniProt: P01308
Ligands: HBD, ZN, CL

Structure

x-ray diffraction · 3 distinct chains · 59% helix, 9% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, C	Human insulin	protein	21	67% helix, 5% strand	P01308
B	Human insulin	protein	30	47% helix, 10% strand	P01308
D	Human insulin	protein	28	68% helix, 11% strand	P01308

Ligands and binding sites

HBD · 4-hydroxybenzamide · ligand · 2 copies · chains C, D, B
ZN · Zinc ion · metal · 2 copies · chains B, D
CL · Chloride ion · ion · chains D

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

Interfaces

5 interfaces between chains.

A–B · 834 Å² buried · 12 hydrogen bonds · protein-protein
B–D · 690 Å² buried · 13 hydrogen bonds · protein-protein
C–D · 585 Å² buried · 5 hydrogen bonds · protein-protein
A–D · 72 Å² buried · 1 hydrogen bond · protein-protein
B–C · 31 Å² buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

1BEN · Insulin complexed with 4-hydroxybenzamide · 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 1BEN · PDBe 1BEN · UniProt P01308

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