MolNFT v1 · #16280 · protein
Crystal structure of human dipeptidyl peptidase IV (dpp-IV)
1NU6: “Crystal structure of human dipeptidyl peptidase IV (dpp-IV)”. X-ray diffraction, 2 ligands (NAG, HG), 16 pockets (best druggability 0.75). MolNFT v1 #16280 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1NU6
- Type
- protein
- Length
- 1,456 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dipeptidyl peptidase IV
- EC
- 3.4.14.5
- UniProt
- P27487
- Ligands
- NAG, HG
- Pockets
- 16 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 18% helix, 37% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Dipeptidyl peptidase IV (EC 3.4.14.5) | protein | 728 | 18% helix, 37% strand | P27487 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 8 copies · chains A, B
- HG · Mercury (II) ion · metal · 6 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, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 75 | 0.75 | 0.98 | 23 | empty |
| 2 | 883 | 0.71 | 0.76 | 99 | empty |
| 3 | 540 | 0.66 | 0.77 | 69 | empty |
| 4 | 438 | 0.57 | 0.74 | 53 | empty |
| 5 | 256 | 0.55 | 0.77 | 34 | empty |
Interfaces
1 interface between chains.
- A–B · 2314 Ų buried · 40 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 disulfide, 8 glycan (disulfide, N-glycosylation).
Compared structures
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 P27487
- Elsewhere: RCSB PDB 1NU6 · PDBe 1NU6 · UniProt P27487
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