MolNFT v1 · #185629 · protein
Local refinement structure of a single N-domain of full-length, dimeric, soluble somatic angiotensin I-converting enzyme
7Q4E · Angiotensin-converting enzyme: “Local refinement structure of a single N-domain of full-length, dimeric, soluble somatic angiotensin…”. Electron microscopy, 5 ligands (NAG, BMA, MAN), 4 pockets (best druggability 0.71). MolNFT v1…
- PDB
- 7Q4E
- Type
- protein
- Length
- 608 residues
- Chains
- 1
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Angiotensin-converting enzyme
- EC
- 3.2.1.-, 3.4.15.1
- UniProt
- P12821
- Ligands
- NAG, BMA, MAN, FUC, ZN
- Pockets
- 4 · best druggability 0.71
Structure
electron microscopy · 1 distinct chain · 63% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Angiotensin-converting enzyme (EC 3.2.1.-, 3.4.15.1) | protein | 608 | 63% helix, 2% strand | P12821 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 17 copies · chains A
- BMA · beta-D-mannopyranose · sugar · 6 copies
- MAN · alpha-D-mannopyranose · sugar · 4 copies
- FUC · alpha-L-fucopyranose · sugar · chains A
- ZN · Zinc ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1058 | 0.71 | 0.75 | 76 | ZN |
| 2 | 516 | 0.68 | 0.78 | 54 | empty |
| 3 | 95 | 0.34 | 0.74 | 17 | empty |
| 4 | 72 | 0.29 | 0.73 | 15 | empty |
Modifications
Observed in the structure: 8 glycan, 3 disulfide (N-glycosylation, disulfide).
Compared structures
- 7Q4E · Local refinement structure of a single N-domain of full-length, dimeric, soluble somatic… · 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 0.89
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 7Q4E · PDBe 7Q4E · UniProt P12821
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