MolNFT v1 · #16750 · protein
Crystal structure of human angiotensin converting enzyme (native).
1O8A: “Crystal structure of human angiotensin converting enzyme (native).”. X-ray diffraction, 4 ligands (NXA, NAG, ZN), 2 pockets (best druggability 0.88). MolNFT v1 #16750 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1O8A
- Type
- protein
- Length
- 574 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Angiotensin converting enzyme
- EC
- 3.4.15.1
- UniProt
- P22966
- Ligands
- NXA, NAG, ZN, CL
- Pockets
- 2 · best druggability 0.88
Structure
x-ray diffraction · 1 distinct chain · 63% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Angiotensin converting enzyme (EC 3.4.15.1) | protein | 574 | 63% helix, 3% strand | P22966 |
Ligands and binding sites
- NXA · N-carboxyalanine · ligand · chains A
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 6 copies · chains A
- ZN · Zinc ion · metal · chains A
- CL · Chloride ion · ion · 2 copies · chains A
- ACT · Acetate ion · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 828 | 0.88 | 0.90 | 108 | ACT, NXA |
| 2 | 124 | 0.48 | 0.79 | 21 | empty |
Modifications
Observed in the structure: 6 glycan, 3 disulfide (N-glycosylation, disulfide).
Compared structures
- 1O8A · Crystal Structure of Human Angiotensin Converting Enzyme (Native). · 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 P22966
- Elsewhere: RCSB PDB 1O8A · PDBe 1O8A · UniProt P22966
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