Research workbench
Crystal structure of ance-lisinopril complex
Analyse Crystal structure of ance-lisinopril complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2X91
- Type
- protein
- Length
- 595 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Angiotensin converting enzyme
- EC
- 3.4.15.1
- UniProt
- Q10714
- Ligands
- LPR, NAG, BMA, MAN, ZN
- Pockets
- 2 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 63% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Angiotensin converting enzyme (EC 3.4.15.1) | protein | 595 | 63% helix, 3% strand | Q10714 |
Ligands and binding sites
- LPR · [N2-[(S)-1-carboxy-3-phenylpropyl]-L-lysyl-L-proline · ligand · chains A
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains A
- BMA · beta-D-mannopyranose · sugar · 2 copies · chains A
- MAN · alpha-D-mannopyranose · sugar · 2 copies
- ZN · Zinc ion · metal · chains A
- EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 592 | 0.86 | 0.91 | 67 | LPR |
| 2 | 765 | 0.83 | 0.86 | 72 | LPR, EPE |
Modifications
Observed in the structure: 4 disulfide, 3 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 Q10714
- Elsewhere: RCSB PDB 2X91 · PDBe 2X91 · UniProt Q10714
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