Download MendeleyEnzyme evolvability is contingent on the initial sequence background
Baier, F., Hong, N.-S., Yang, G., Carr, P.D., Jackson, C., Tokuriki, N.To be published.
5JQJ
Directed evolutionary changes in MBL super family - NDM-1 Round 10 crystal-1
- PDB DOI: https://doi.org/10.2210/pdb5JQJ/pdb
- Classification: HYDROLASE
- Organism(s): Klebsiella pneumoniae
- Expression System: Escherichia coli
- Mutation(s): Yes
- Deposited: 2016-05-05 Released: 2017-05-10
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.67 Å
- R-Value Free: 0.187
- R-Value Work: 0.144
- R-Value Observed: 0.147
wwPDB Validation 3D Report Full Report
This is version 1.2 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 |
| Metallo-beta-lactamase type 2 | 245 | Klebsiella pneumoniae | Mutation(s): 13 Gene Names: blaNDM-1 EC: 3.5.2.6 |  | |
UniProt | |||||
Find proteins for C7C422 (Klebsiella pneumoniae) Explore C7C422 Go to UniProtKB: C7C422 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | C7C422 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| MES Query on MES | D [auth A], E [auth A] | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID C6 H13 N O4 S SXGZJKUKBWWHRA-UHFFFAOYSA-N |  | ||
| ZN Query on ZN | B [auth A], C [auth A] | ZINC ION Zn PTFCDOFLOPIGGS-UHFFFAOYSA-N |  | ||
| MG Query on MG | F [auth A], G [auth A] | MAGNESIUM ION Mg JLVVSXFLKOJNIY-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.67 Å
- R-Value Free: 0.187
- R-Value Work: 0.144
- R-Value Observed: 0.147
- Space Group: C 2 2 21
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 37.795 | α = 90 |
| b = 137.724 | β = 90 |
| c = 77.455 | γ = 90 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| XDS | data reduction |
| Aimless | data scaling |
| MOLREP | phasing |
Entry History
Deposition Data
- Released Date: 2017-05-10 Deposition Author(s): Hong, N.-S., Jackson, C.J., Carr, P.D.
Revision History (Full details and data files)
- Version 1.0: 2017-05-10
Type: Initial release - Version 1.1: 2017-09-27
Changes: Author supporting evidence - Version 1.2: 2023-09-27
Changes: Data collection, Database references, Derived calculations, Refinement description
