MolNFT v1 · #185628 · protein
Local refinement structure of the two interacting N-domains of full- length, dimeric, soluble somatic angiotensin I-converting enzyme
7Q4D · Angiotensin-converting enzyme: “Local refinement structure of the two interacting N-domains of full- length, dimeric, soluble somatic…”. Electron microscopy, 5 ligands (NAG, BMA, MAN), 8 pockets (best druggability 0.79). MolNFT v1…
- PDB
- 7Q4D
- Type
- protein
- Length
- 1,216 residues
- Chains
- 2
- 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
- 8 · best druggability 0.79
Structure
electron microscopy · 1 distinct chain · 63% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | 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 · 34 copies · chains A, B
- BMA · beta-D-mannopyranose · sugar · 12 copies
- MAN · alpha-D-mannopyranose · sugar · 8 copies
- FUC · alpha-L-fucopyranose · sugar · 2 copies · chains A, B
- ZN · Zinc ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 257 | 0.79 | 0.91 | 23 | empty |
| 2 | 475 | 0.76 | 0.85 | 42 | empty |
| 3 | 1043 | 0.71 | 0.75 | 79 | empty |
| 4 | 1041 | 0.71 | 0.75 | 79 | empty |
| 5 | 561 | 0.70 | 0.79 | 56 | empty |
Interfaces
1 interface between chains.
- A–B · 1173 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 glycan, 6 disulfide (N-glycosylation, disulfide).
Compared structures
- 7Q4D · Local refinement structure of the two interacting N-domains of full-length, dimeric… · 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 0.89
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 7Q4D · PDBe 7Q4D · UniProt P12821
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