MolNFT v1 · #41192 · protein

Substrate-free ide structure in its closed conformation

2JG4 · Insulin degrading enzyme: “Substrate-free ide structure in its closed conformation”. X-ray diffraction, 1 ligand (ZN), 20 pockets (best druggability 0.79). MolNFT v1 #41192 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 2JG4
Type: protein
Length: 1,919 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Insulin degrading enzyme
EC: 3.4.24.56
UniProt: P14735
Ligands: ZN
Pockets: 20 · best druggability 0.79

Structure

x-ray diffraction · 2 distinct chains · 44% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Insulin degrading enzyme (EC 3.4.24.56)	protein	961	43% helix, 20% strand	P14735
B	Insulin degrading enzyme (EC 3.4.24.56)	protein	958	44% helix, 20% strand	P14735

Ligands and binding sites

ZN · Zinc ion · metal · 2 copies · chains A, B
DIO · 1,4-diethylene dioxide · additive · 4 copies · chains A, B

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

Pockets

20 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1048	0.79	0.81	92	empty
2	727	0.73	0.79	98	DIO
3	973	0.72	0.76	86	DIO
4	430	0.69	0.80	39	empty
5	486	0.67	0.79	54	empty

Interfaces

1 interface between chains.

A–B · 903 Å² buried · 12 hydrogen bonds · protein-protein

Compared structures

2JG4 · Substrate-free IDE structure in its closed conformation · the same entry in another collection · chain A against A, TM-score 1.00
P14735 · AlphaFold monomer V2.0 prediction for insulin-degrading enzyme (P14735) · a predicted model of the same protein · 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 P14735
Elsewhere: RCSB PDB 2JG4 · PDBe 2JG4 · UniProt P14735

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