Download MendeleyStructural analysis and reaction mechanism of kievitone hydratase from Nectria haematococca
Pavkov-Keller, T., Steinkellner, G., Engleder, M., Schuermann, M., Blasl, H., Pichler, H., Gruber, K.To be published.
7A0Q
Crystal structure of kievitone hydratase from Nectria haematococca (C2 SG)
- PDB DOI: https://doi.org/10.2210/pdb7A0Q/pdb
- Classification: LYASE
- Organism(s): Fusarium vanettenii 77-13-4
- Expression System: Komagataella pastoris
- Mutation(s): No
- Deposited: 2020-08-10 Released: 2021-08-18
- Funding Organization(s): Austrian Research Promotion Agency
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.50 Å
- R-Value Free: 0.208
- R-Value Work: 0.179
- R-Value Observed: 0.180
This is version 1.0 of the entry. See complete history.
Literature
To be published.
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| CrtC domain-containing protein | 348 | Fusarium vanettenii 77-13-4 | Mutation(s): 0 Gene Names: NECHADRAFT_51190 |  | |
UniProt | |||||
Find proteins for C7ZKN4 (Fusarium vanettenii (strain ATCC MYA-4622 / CBS 123669 / FGSC 9596 / NRRL 45880 / 77-13-4)) Explore C7ZKN4 Go to UniProtKB: C7ZKN4 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | C7ZKN4 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Oligosaccharides
Entity ID: 2 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Length | 2D Diagram | Glycosylation | 3D Interactions |
| alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose | B | 2 |  | N/A | |
Glycosylation Resources | |||||
GlyTouCan: G53402KW GlyCosmos: G53402KW GlyGen: G53402KW | |||||
Entity ID: 3 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Length | 2D Diagram | Glycosylation | 3D Interactions |
| alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | C | 7 |  | N-Glycosylation | |
Glycosylation Resources | |||||
GlyTouCan: G94559IJ GlyCosmos: G94559IJ GlyGen: G94559IJ | |||||
Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| NAG Query on NAG | D [auth A] | 2-acetamido-2-deoxy-beta-D-glucopyranose C8 H15 N O6 OVRNDRQMDRJTHS-FMDGEEDCSA-N |  | ||
| IMD Query on IMD | F [auth A] | IMIDAZOLE C3 H5 N2 RAXXELZNTBOGNW-UHFFFAOYSA-O |  | ||
| MG Query on MG | E [auth A] | MAGNESIUM ION Mg JLVVSXFLKOJNIY-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.50 Å
- R-Value Free: 0.208
- R-Value Work: 0.179
- R-Value Observed: 0.180
- Space Group: C 1 2 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 121.327 | α = 90 |
| b = 70.201 | β = 103.546 |
| c = 51.26 | γ = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| PHENIX | refinement |
| XDS | data reduction |
| XDS | data scaling |
| AutoSol | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2021-08-18 Deposition Author(s): Pavkov-Keller, T., Gruber, K.
| Funding Organization | Location | Grant Number |
|---|---|---|
| Austrian Research Promotion Agency | Austria | -- |
Revision History (Full details and data files)
- Version 1.0: 2021-08-18
Type: Initial release
