MolNFT v1 · #24579 · protein
Complex of the anti-hypertensive drug captopril an the human testicular angiotensin I-converting enzyme
1UZF · Angiotensin converting enzyme: “Complex of the anti-hypertensive drug captopril an the human testicular angiotensin I-converting enzyme”. X-ray diffraction, 4 ligands (MCO, NAG, ZN), 3 pockets (best druggability 0.85). MolNFT v1…
- PDB
- 1UZF
- Type
- protein
- Length
- 574 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Angiotensin converting enzyme
- EC
- 3.2.1.-, 3.4.15.1
- UniProt
- P22966
- Ligands
- MCO, NAG, ZN, CL
- Pockets
- 3 · best druggability 0.85
Structure
x-ray diffraction · 1 distinct chain · 64% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Angiotensin converting enzyme (EC 3.2.1.-, 3.4.15.1) | protein | 574 | 64% helix, 3% strand | P22966 |
Ligands and binding sites
- MCO · 1-(3-mercapto-2-methyl-propionyl)-pyrrolidine-2-carboxylic acid · ligand · chains A
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains A
- ZN · Zinc ion · metal · chains A
- CL · Chloride ion · ion · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 540 | 0.85 | 0.91 | 73 | ZN, MCO |
| 2 | 345 | 0.78 | 0.88 | 52 | empty |
| 3 | 62 | 0.55 | 0.88 | 14 | empty |
Modifications
Observed in the structure: 3 disulfide, 2 glycan (disulfide, N-glycosylation).
Compared structures
- 1UZF · Complex of the anti-hypertensive drug captopril an the human testicular angiotensin… · 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 1UZF · PDBe 1UZF · UniProt P22966
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