MolNFT v1 · #190918 · protein
Crystal structure of angiotensin-1 converting enzyme N-domain in complex with fosinoprilat
7Z6Z · Angiotensin-converting enzyme, soluble form: “Crystal structure of angiotensin-1 converting enzyme N-domain in complex with fosinoprilat”. X-ray diffraction, 8 ligands (KS8, NAG, FUC), 9 pockets (best druggability 0.87). MolNFT v1…
- PDB
- 7Z6Z
- Type
- protein
- Length
- 1,208 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Angiotensin-converting enzyme, soluble form
- UniProt
- P12821
- Ligands
- KS8, NAG, FUC, BMA, CA, ZN, NA, CL
- Pockets
- 9 · best druggability 0.87
Structure
x-ray diffraction · 1 distinct chain · 62% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Angiotensin-converting enzyme, soluble form | protein | 604 | 62% helix, 3% strand | P12821 |
Ligands and binding sites
- KS8 · fosinoprilat · ligand · 2 copies · chains A, B
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 9 copies · chains A, B
- FUC · alpha-L-fucopyranose · sugar · 4 copies · chains A, B
- BMA · beta-D-mannopyranose · sugar · chains A
- CA · Calcium ion · metal · 3 copies · chains A, B
- ZN · Zinc ion · metal · 2 copies · chains A, B
- NA · Sodium ion · metal · chains A
- CL · Chloride ion · ion · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 12 copies · chains A, B
- ACT · Acetate ion · additive · 10 copies · chains A, B
- PEG · Di(hydroxyethyl)ether · additive · 8 copies · chains A, B
- PGE · Triethylene glycol · additive · 3 copies · chains A
- PG4 · Tetraethylene glycol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1133 | 0.87 | 0.88 | 125 | KS8, PEG, PGE, ZN, EDO, NA |
| 2 | 1171 | 0.87 | 0.88 | 117 | KS8, PEG, EDO, CA |
| 3 | 243 | 0.76 | 0.89 | 28 | empty |
| 4 | 629 | 0.74 | 0.80 | 38 | ACT, PG4 |
| 5 | 55 | 0.56 | 0.90 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 1082 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide, 6 glycan (disulfide, N-glycosylation).
Compared structures
- 7Z6Z · Crystal structure of Angiotensin-1 converting enzyme N-domain in complex with fosinoprilat · 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 B 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 7Z6Z · PDBe 7Z6Z · UniProt P12821
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