Research workbench
Crystal structure of kievitone hydratase from nectria haematococca (C2 sg)
Analyse Crystal structure of kievitone hydratase from nectria haematococca (C2 sg) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7A0Q
- Type
- protein
- Length
- 324 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Crtc domain-containing protein
- UniProt
- C7ZKN4
- Ligands
- MAN, NAG, BMA, MG
- Pockets
- 3 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 3% helix, 57% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Crtc domain-containing protein | protein | 324 | 3% helix, 57% strand | C7ZKN4 |
Ligands and binding sites
- MAN · alpha-D-mannopyranose · sugar · 6 copies
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 3 copies · chains A
- BMA · beta-D-mannopyranose · sugar
- MG · Magnesium ion · metal · chains A
- IMD · Imidazole · 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 | 237 | 0.73 | 0.87 | 30 | IMD |
| 2 | 89 | 0.58 | 0.87 | 23 | empty |
| 3 | 61 | 0.34 | 0.77 | 18 | NAG |
Modifications
Observed in the structure: 2 glycan (N-glycosylation).
Compared structures
- 7A0Q · Crystal structure of kievitone hydratase from Nectria haematococca (C2 SG) · 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 C7ZKN4
- Elsewhere: RCSB PDB 7A0Q · PDBe 7A0Q · UniProt C7ZKN4
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