Research workbench
Crystal structure of kievitone hydratase from nectria haematococca (P21 sg)
Analyse Crystal structure of kievitone hydratase from nectria haematococca (P21 sg) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7A0T
- Type
- protein
- Length
- 651 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Crtc domain-containing protein
- UniProt
- C7ZKN4
- Ligands
- MAN, NAG, BMA
- Pockets
- 8 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 3% helix, 57% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Crtc domain-containing protein | protein | 325 | 3% helix, 57% strand | C7ZKN4 |
| B | Crtc domain-containing protein | protein | 326 | 3% helix, 57% strand | C7ZKN4 |
Ligands and binding sites
- MAN · alpha-D-mannopyranose · sugar · 14 copies · chains A, B
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 5 copies · chains A, B
- BMA · beta-D-mannopyranose · sugar · 2 copies
- IMD · Imidazole · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 248 | 0.74 | 0.88 | 31 | IMD |
| 2 | 236 | 0.73 | 0.88 | 30 | IMD |
| 3 | 165 | 0.64 | 0.86 | 36 | empty |
| 4 | 100 | 0.63 | 0.89 | 26 | empty |
| 5 | 112 | 0.44 | 0.78 | 25 | empty |
Interfaces
1 interface between chains.
- A–B · 1238 Ų buried · 24 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 glycan (N-glycosylation).
Compared structures
- 7A0T · Crystal structure of kievitone hydratase from Nectria haematococca (P21 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 7A0T · PDBe 7A0T · UniProt C7ZKN4
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