Research workbench
Crystal structure of renin with inhibitor 10 (aliskiren)
Analyse Crystal structure of renin with inhibitor 10 (aliskiren) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2V0Z
- Type
- protein
- Length
- 674 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Renin
- EC
- 3.4.23.15
- UniProt
- P00797
- Ligands
- C41, NAG
- Pockets
- 5 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 16% helix, 45% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| C | Renin (EC 3.4.23.15) | protein | 338 | 15% helix, 46% strand | P00797 |
| O | Renin (EC 3.4.23.15) | protein | 336 | 16% helix, 45% strand | P00797 |
Ligands and binding sites
- C41 · Aliskiren · ligand · 2 copies · chains C, O
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains C, O
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 614 | 0.82 | 0.88 | 65 | empty |
| 2 | 592 | 0.75 | 0.82 | 61 | C41 |
| 3 | 519 | 0.74 | 0.82 | 52 | C41 |
| 4 | 280 | 0.61 | 0.80 | 31 | empty |
| 5 | 330 | 0.56 | 0.76 | 34 | empty |
Interfaces
1 interface between chains.
- C–O · 821 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide, 2 glycan (disulfide, N-glycosylation).
Compared structures
- 2V0Z · Crystal Structure of Renin with Inhibitor 10 (Aliskiren) · the same entry in another collection · chain C against C, 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 P00797
- Elsewhere: RCSB PDB 2V0Z · PDBe 2V0Z · UniProt P00797
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