Download MendeleyCrystal Structure of New Delhi Metallo-beta-Lactamase-1, Complexed with Cd and Ampicillin
Kim, Y., Tesar, C., Jedrzejczak, R., Babnigg, J., Mire, J., Sacchettini, J., Joachimiak, A.To be published.
4HL1
Crystal Structure of New Delhi Metallo-beta-Lactamase-1, Complexed with Cd and Ampicillin
- PDB DOI: https://doi.org/10.2210/pdb4HL1/pdb
- Classification: Hydrolase/Antibiotic
- Organism(s): Klebsiella pneumoniae
- Expression System: Escherichia coli BL21
- Mutation(s): No
- Deposited: 2012-10-15 Released: 2012-12-12
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.50 Å
- R-Value Free: 0.149
- R-Value Work: 0.137
- R-Value Observed: 0.137
This is version 1.1 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 |
| Beta-lactamase NDM-1 | 243 | Klebsiella pneumoniae | Mutation(s): 0 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 | |
| ZZ7 Query on ZZ7 | C [auth A], H [auth B] | (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid C16 H21 N3 O5 S KDAWOPKDXRJNHV-MPPDQPJWSA-N |  | ||
| CD Query on CD | D [auth A] E [auth A] F [auth A] I [auth B] J [auth B] | CADMIUM ION Cd WLZRMCYVCSSEQC-UHFFFAOYSA-N |  | ||
| CL Query on CL | G [auth A], L [auth B] | CHLORIDE ION Cl VEXZGXHMUGYJMC-UHFFFAOYSA-M |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.50 Å
- R-Value Free: 0.149
- R-Value Work: 0.137
- R-Value Observed: 0.137
- Space Group: P 21 21 21
- Diffraction Data: https://doi.org/10.18430/M34HL1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 38.997 | α = 90 |
| b = 78.7 | β = 90 |
| c = 134.377 | γ = 90 |
| Software Name | Purpose |
|---|---|
| SBC-Collect | data collection |
| HKL-3000 | data collection |
| HKL-3000 | phasing |
| MOLREP | phasing |
| PHENIX | refinement |
| HKL-3000 | data reduction |
| HKL-3000 | data scaling |
Entry History
Deposition Data
- Released Date: 2012-12-12 Deposition Author(s): Kim, Y., Tesar, C., Jedrzejczak, R., Babnigg, J., Mire, J., Sacchettini, J., Joachimiak, A., Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI)
Revision History (Full details and data files)
- Version 1.0: 2012-12-12
Type: Initial release - Version 1.1: 2023-09-20
Changes: Data collection, Database references, Derived calculations, Refinement description
