6RS8
X-ray crystal structure of LsAA9B (transition metals soak)
- PDB DOI: https://doi.org/10.2210/pdb6RS8/pdb
- Classification: UNKNOWN FUNCTION
- Organism(s): Panus similis
- Expression System: Aspergillus oryzae
- Mutation(s): No
- Deposited: 2019-05-21 Released: 2019-09-11
- Funding Organization(s): Danish Agency for Science Technology and Innovation, Novo Nordisk Foundation, European Communitys Seventh Framework Programme, European Commission
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.58 Å
- R-Value Free: 0.173
- R-Value Work: 0.113
- R-Value Observed: 0.116
This is version 3.1 of the entry. See complete history.
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| AA9 | 221 | Panus similis | Mutation(s): 0 |  | |
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
Sequence AnnotationsExpand | |||||
| |||||
Oligosaccharides
Small Molecules
| Ligands 4 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| MES Query on MES | D [auth A] | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID C6 H13 N O4 S SXGZJKUKBWWHRA-UHFFFAOYSA-N |  | ||
| MAN Query on MAN | C [auth A] | alpha-D-mannopyranose C6 H12 O6 WQZGKKKJIJFFOK-PQMKYFCFSA-N |  | ||
| MPD Query on MPD | E [auth A] | (4S)-2-METHYL-2,4-PENTANEDIOL C6 H14 O2 SVTBMSDMJJWYQN-YFKPBYRVSA-N |  | ||
| ACT Query on ACT | F [auth A], G [auth A] | ACETATE ION C2 H3 O2 QTBSBXVTEAMEQO-UHFFFAOYSA-M |  | ||
| Modified Residues 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Type | Formula | 2D Diagram | Parent |
| SEP Query on SEP | A | L-PEPTIDE LINKING | C3 H8 N O6 P |  | SER |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.58 Å
- R-Value Free: 0.173
- R-Value Work: 0.113
- R-Value Observed: 0.116
- Space Group: P 21 21 21
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 35.16 | α = 90 |
| b = 72.58 | β = 90 |
| c = 78.68 | γ = 90 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| MxCuBE | data collection |
| XDS | data reduction |
| XSCALE | data scaling |
| MOLREP | phasing |
| Coot | model building |
Entry History & Funding Information
Deposition Data
- Released Date: 2019-09-11 Deposition Author(s): Frandsen, K.E.H., Tovborg, M., Poulsen, J.C.N., Johansen, K.S., Lo Leggio, L.
| Funding Organization | Location | Grant Number |
|---|---|---|
| Danish Agency for Science Technology and Innovation | Denmark | 12-134922 |
| Danish Agency for Science Technology and Innovation | Denmark | 12-134923 |
| Novo Nordisk Foundation | Denmark | NNF17SA0027704 |
| European Communitys Seventh Framework Programme | Denmark | BioStruct-X (grant agreement N283570) |
| European Commission | Denmark | CF16-0673 - The Carlsberg Foundation |
| European Commission | Denmark | CF17-0533 - The Carlsberg Foundation |
| European Commission | France | AgreenSkills+ (Marie-Curie FP7 COFUND People Programme under grant agreement 609398) |
Revision History (Full details and data files)
- Version 1.0: 2019-09-11
Type: Initial release - Version 1.1: 2019-11-20
Changes: Database references - Version 2.0: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Atomic model, Data collection, Derived calculations, Structure summary - Version 3.0: 2021-11-10
Changes: Atomic model, Data collection, Database references, Source and taxonomy, Structure summary - Version 3.1: 2024-01-24
Changes: Data collection, Refinement description
