MolNFT v1 · #53911 · protein
Crystal structure of ance-enalaprilat complex
2X90 · Angiotensin converting enzyme: “Crystal structure of ance-enalaprilat complex”. X-ray diffraction, 5 ligands (EAL, NAG, BMA), 2 pockets (best druggability 0.85). MolNFT v1 #53911 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 2X90
- Type
- protein
- Length
- 598 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
- EAL, NAG, BMA, MAN, ZN
- Pockets
- 2 · best druggability 0.85
Structure
x-ray diffraction · 1 distinct chain · 64% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Angiotensin converting enzyme (EC 3.4.15.1) | protein | 598 | 64% helix, 4% strand | Q10714 |
Ligands and binding sites
- EAL · 1-((2S)-2-{[(1S)-1-carboxy-3-phenylpropyl]amino}propanoyl)-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 · 2 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 | 537 | 0.85 | 0.91 | 60 | EAL |
| 2 | 249 | 0.73 | 0.88 | 47 | 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 2X90 · PDBe 2X90 · UniProt Q10714
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