Research workbench
Crystal structure of anopheles gambiae ANOACE2 in complex with gamma- polyglutamic acid.
Analyse Crystal structure of anopheles gambiae ANOACE2 in complex with gamma… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6S1Y
- Type
- protein
- Length
- 595 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Angiotensin-converting enzyme
- EC
- 3.4.-.-
- UniProt
- A0NFU8
- Ligands
- KSN, NAG, BMA, ZN
- Pockets
- 3 · best druggability 0.87
Structure
x-ray diffraction · 1 distinct chain · 62% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Angiotensin-converting enzyme (EC 3.4.-.-) | protein | 595 | 62% helix, 4% strand | A0NFU8 |
Ligands and binding sites
- KSN · (2~{S})-2-[[(4~{S})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]pentanedioic acid · ligand · chains A
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains A
- BMA · beta-D-mannopyranose · sugar
- ZN · Zinc ion · metal · chains A
- EDO · 1,2-ethanediol · additive · 2 copies · chains A
- PEG · Di(hydroxyethyl)ether · additive · 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 576 | 0.87 | 0.92 | 67 | KSN |
| 2 | 373 | 0.78 | 0.88 | 59 | empty |
| 3 | 56 | 0.30 | 0.76 | 16 | empty |
Modifications
Observed in the structure: 4 disulfide, 2 glycan (disulfide, N-glycosylation).
Compared structures
- 6S1Y · Crystal structure of Anopheles gambiae AnoACE2 in complex with gamma-Polyglutamic Acid. · 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 A0NFU8
- Elsewhere: RCSB PDB 6S1Y · PDBe 6S1Y · UniProt A0NFU8
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