MolNFT v1 · #103178 · protein
Crystal structure of human insulin regulated aminopeptidase with alanine in active site
4P8Q · Leucyl-cystinyl aminopeptidase: “Crystal structure of human insulin regulated aminopeptidase with alanine in active site”. X-ray diffraction, 3 ligands (UNL, NAG, ZN), 16 pockets (best druggability 0.82). MolNFT v1 #103178 on…
- PDB
- 4P8Q
- Type
- protein
- Length
- 1,708 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Leucyl-cystinyl aminopeptidase
- EC
- 3.4.11.3
- UniProt
- Q9UIQ6
- Ligands
- UNL, NAG, ZN
- Pockets
- 16 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 45% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Leucyl-cystinyl aminopeptidase (EC 3.4.11.3) | protein | 860 | 45% helix, 22% strand | Q9UIQ6 |
| B | Leucyl-cystinyl aminopeptidase (EC 3.4.11.3) | protein | 848 | 45% helix, 21% strand | Q9UIQ6 |
Ligands and binding sites
- UNL · Unknown ligand · ligand · 2 copies · chains A, B
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 21 copies · chains A, B
- ZN · Zinc ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
16 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1142 | 0.82 | 0.83 | 127 | empty |
| 2 | 495 | 0.80 | 0.87 | 56 | empty |
| 3 | 436 | 0.74 | 0.83 | 63 | empty |
| 4 | 452 | 0.72 | 0.82 | 63 | empty |
| 5 | 479 | 0.63 | 0.76 | 37 | ZN, UNL |
Interfaces
1 interface between chains.
- A–B · 1162 Ų buried · 13 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 glycan, 2 disulfide (N-glycosylation, disulfide).
Compared structures
- 4P8Q · Crystal Structure of Human Insulin Regulated Aminopeptidase with Alanine in Active Site · the same entry in another collection · chain B against B, TM-score 1.00
- Q9UIQ6 · AlphaFold monomer V2.0 prediction for leucyl-cystinyl aminopeptidase (Q9UIQ6) · a predicted model of the same protein · chain B against A, TM-score 0.96
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 Q9UIQ6
- Elsewhere: RCSB PDB 4P8Q · PDBe 4P8Q · UniProt Q9UIQ6
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