MolNFT v1 · #89905 · protein
Crystal structure of the human endoplasmic reticulum aminopeptidase 2 variant N392K
4E36: “Crystal structure of the human endoplasmic reticulum aminopeptidase 2 variant N392K”. X-ray diffraction, 4 ligands (LYS, NAG, MAN), 20 pockets (best druggability 0.81). MolNFT v1 #89905 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4E36
- Type
- protein
- Length
- 1,728 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Endoplasmic reticulum aminopeptidase 2
- EC
- 3.4.11.-
- UniProt
- Q6P179
- Ligands
- LYS, NAG, MAN, ZN
- Pockets
- 20 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 45% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Endoplasmic reticulum aminopeptidase 2 (EC 3.4.11.-) | protein | 869 | 45% helix, 19% strand | Q6P179 |
| B | Endoplasmic reticulum aminopeptidase 2 (EC 3.4.11.-) | protein | 859 | 46% helix, 20% strand | Q6P179 |
Ligands and binding sites
- LYS · Lysine · ligand · 2 copies · chains A, B
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 12 copies · chains A, B
- MAN · alpha-D-mannopyranose · sugar · 2 copies · chains A
- ZN · Zinc ion · metal · 2 copies · chains A, B
- MES · 2-(N-morpholino)-ethanesulfonic acid · additive · 2 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, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 544 | 0.81 | 0.87 | 76 | empty |
| 2 | 355 | 0.79 | 0.89 | 41 | LYS, MES |
| 3 | 420 | 0.78 | 0.87 | 37 | LYS, MES, ZN |
| 4 | 601 | 0.78 | 0.84 | 76 | empty |
| 5 | 405 | 0.73 | 0.83 | 40 | empty |
Interfaces
1 interface between chains.
- A–B · 601 Ų buried · 13 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 glycan, 4 disulfide (N-glycosylation, disulfide).
Compared structures
- 4E36 · Crystal structure of the human Endoplasmic Reticulum Aminopeptidase 2 variant N392K · the same entry in another collection · chain B against B, TM-score 1.00
- Q6P179 · AlphaFold monomer V2.0 prediction for endoplasmic reticulum aminopeptidase 2 (Q6P179) · a predicted model of the same protein · chain B 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 Q6P179
- Elsewhere: RCSB PDB 4E36 · PDBe 4E36 · UniProt Q6P179
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.