MolNFT v1 · #32979 · protein
Structure of human somatic angiontensin-I converting enzyme N domain
2C6F · Angiotensin-converting enzyme, somatic isoform: “Structure of human somatic angiontensin-I converting enzyme N domain”. X-ray diffraction, 3 ligands (NAG, ZN, CL), 16 pockets (best druggability 0.83). MolNFT v1 #32979 on GenesisL1…
- PDB
- 2C6F
- Type
- protein
- Length
- 1,223 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Angiotensin-converting enzyme, somatic isoform
- EC
- 3.4.15.1
- UniProt
- P12821
- Ligands
- NAG, ZN, CL
- Pockets
- 16 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 60% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Angiotensin-converting enzyme, somatic isoform (EC 3.4.15.1) | protein | 612 | 61% helix, 3% strand | P12821 |
| B | Angiotensin-converting enzyme, somatic isoform (EC 3.4.15.1) | protein | 611 | 58% helix, 2% strand | P12821 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 13 copies · chains A, B
- ZN · Zinc ion · metal · 2 copies · chains A, B
- CL · Chloride ion · ion · 2 copies · chains B, A
- ACT · Acetate ion · additive · 3 copies · chains A, B
- GOL · Glycerol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
16 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 468 | 0.83 | 0.90 | 57 | ACT |
| 2 | 456 | 0.83 | 0.91 | 51 | ACT |
| 3 | 1090 | 0.80 | 0.81 | 108 | empty |
| 4 | 316 | 0.76 | 0.88 | 58 | empty |
| 5 | 200 | 0.71 | 0.88 | 34 | empty |
Interfaces
1 interface between chains.
- A–B · 1019 Ų buried · 14 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 9 glycan, 6 disulfide (N-glycosylation, disulfide).
Compared structures
- 2C6F · Structure of human somatic angiontensin-I converting enzyme N domain · 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 2C6F · PDBe 2C6F · UniProt P12821
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.