MolNFT v1 · #55220 · protein
Structural characterization of angiotensin-I converting enzyme in complex with a selenium analogue of captopril
2YDM · Angiotensin converting enzyme: “Structural characterization of angiotensin-I converting enzyme in complex with a selenium analogue of…”. X-ray diffraction, 5 ligands (SLC, NAG, BMA), 2 pockets (best druggability 0.86). MolNFT v1…
- PDB
- 2YDM
- Type
- protein
- Length
- 574 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
- P12821
- Ligands
- SLC, NAG, BMA, ZN, CL
- 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 | 574 | 63% helix, 3% strand | P12821 |
Ligands and binding sites
- SLC · Seleno-captopril · ligand · chains A
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 3 copies · chains A
- BMA · beta-D-mannopyranose · sugar
- ZN · Zinc ion · metal · chains A
- CL · Chloride ion · ion · 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 | 511 | 0.86 | 0.92 | 71 | SLC |
| 2 | 373 | 0.79 | 0.88 | 49 | empty |
Modifications
Observed in the structure: 3 disulfide, 3 glycan (disulfide, N-glycosylation, glycosylation).
Compared structures
- 2YDM · Structural characterization of angiotensin-I converting enzyme in complex with a selenium… · the same entry in another collection · chain A against A, TM-score 1.00
- P12821 · AlphaFold monomer V2.0 prediction for angiotensin-converting enzyme (P12821) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P12821
- Elsewhere: RCSB PDB 2YDM · PDBe 2YDM · UniProt P12821
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