MolNFT v1 · #32986 · protein
Structure of human somatic angiontensin-I converting enzyme N domain with lisinopril
2C6N · Angiotensin-converting enzyme, somatic isoform: “Structure of human somatic angiontensin-I converting enzyme N domain with lisinopril”. X-ray diffraction, 4 ligands (LPR, NAG, ZN), 17 pockets (best druggability 0.86). MolNFT v1…
- PDB
- 2C6N
- Type
- protein
- Length
- 1,221 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
- Q59GY8
- Ligands
- LPR, NAG, ZN, CL
- Pockets
- 17 · best druggability 0.86
Structure
x-ray diffraction · 2 distinct chains · 58% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Angiotensin-converting enzyme, somatic isoform (EC 3.4.15.1) | protein | 612 | 59% helix, 3% strand | Q59GY8 |
| B | Angiotensin-converting enzyme, somatic isoform (EC 3.4.15.1) | protein | 609 | 58% helix, 3% strand | Q59GY8 |
Ligands and binding sites
- LPR · [N2-[(S)-1-carboxy-3-phenylpropyl]-L-lysyl-L-proline · ligand · 2 copies · chains A, B
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 8 copies · chains A, B
- ZN · Zinc ion · metal · 2 copies · chains A, B
- CL · Chloride ion · ion · 2 copies · chains A, B
- GOL · Glycerol · additive · 2 copies · chains A, B
- ACT · Acetate ion · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
17 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 893 | 0.86 | 0.88 | 93 | LPR |
| 2 | 526 | 0.82 | 0.88 | 51 | LPR |
| 3 | 676 | 0.81 | 0.85 | 69 | empty |
| 4 | 634 | 0.81 | 0.86 | 67 | ZN, LPR |
| 5 | 1095 | 0.78 | 0.80 | 93 | empty |
Interfaces
1 interface between chains.
- A–B · 887 Ų buried · 15 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 glycan, 5 disulfide (N-glycosylation, disulfide).
Compared structures
- 2C6N · Structure of human somatic angiontensin-I converting enzyme N domain with lisinopril · the same entry in another collection · chain A against A, TM-score 1.00
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 Q59GY8
- Elsewhere: RCSB PDB 2C6N · PDBe 2C6N · UniProt Q59GY8
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