MolNFT v1 · #117259 · protein
Structure of human DPP3 in complex with angiotensin-II
5E2Q · Dipeptidyl peptidase 3: “Structure of human DPP3 in complex with angiotensin-II”. X-ray diffraction, 2 ligands (MG, K), 6 pockets (best druggability 0.81). MolNFT v1 #117259 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 5E2Q
- Type
- protein
- Length
- 733 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dipeptidyl peptidase 3; Angiotensin-II
- EC
- 3.4.14.4
- UniProt
- Q9NY33, P01019
- Ligands
- MG, K
- Pockets
- 6 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 48% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Dipeptidyl peptidase 3 (EC 3.4.14.4) | protein | 725 | 49% helix, 16% strand | Q9NY33 |
| B | Angiotensin-II | protein | 8 | 0% helix, 25% strand | P01019 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 186 | 0.81 | 0.95 | 49 | empty |
| 2 | 382 | 0.73 | 0.84 | 58 | empty |
| 3 | 327 | 0.70 | 0.83 | 49 | empty |
| 4 | 247 | 0.63 | 0.82 | 40 | empty |
| 5 | 66 | 0.42 | 0.80 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 1067 Ų buried · 22 hydrogen bonds · protein-protein
Compared structures
- 5E2Q · Structure of human DPP3 in complex with angiotensin-II · the same entry in another collection · chain A against A, TM-score 1.00
- Q9NY33 · AlphaFold monomer V2.0 prediction for dipeptidyl peptidase 3 (Q9NY33) · a predicted model of the same protein · chain A against A, TM-score 1.00
- P01019 · AlphaFold monomer V2.0 prediction for angiotensinogen (P01019) · a predicted model of the same protein · chain B against A, TM-score 0.55
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 Q9NY33
- Every structure of UniProt P01019
- Elsewhere: RCSB PDB 5E2Q · PDBe 5E2Q · UniProt Q9NY33 · UniProt P01019
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