Download MendeleyCrystal structure analyses of thermolysin in complex with its inhibitors.
Senda, M., Senda, T., Kidokoro, S.To be published.
1KRO
Thermolysin complexed with Z-D-Threonine (benzyloxycarbonyl-D-Threonine)
- PDB DOI: https://doi.org/10.2210/pdb1KRO/pdb
- Classification: HYDROLASE/HYDROLASE INHIBITOR
- Organism(s): Bacillus thermoproteolyticus
- Mutation(s): No
- Deposited: 2002-01-10 Released: 2003-01-10
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.70 Å
- R-Value Free: 0.182
- R-Value Work: 0.166
- R-Value Observed: 0.171
This is version 1.3 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 |
| Thermolysin | 316 | Bacillus thermoproteolyticus | Mutation(s): 0 EC: 3.4.24.27 |  | |
UniProt | |||||
Find proteins for P00800 (Bacillus thermoproteolyticus) Explore P00800 Go to UniProtKB: P00800 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P00800 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 4 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| PHQ Query on PHQ | G [auth A] | benzyl chlorocarbonate C8 H7 Cl O2 HSDAJNMJOMSNEV-UHFFFAOYSA-N |  | ||
| DTH Query on DTH | H [auth A] | D-THREONINE C4 H9 N O3 AYFVYJQAPQTCCC-STHAYSLISA-N |  | ||
| ZN Query on ZN | F [auth A] | ZINC ION Zn PTFCDOFLOPIGGS-UHFFFAOYSA-N |  | ||
| CA Query on CA | B [auth A], C [auth A], D [auth A], E [auth A] | CALCIUM ION Ca BHPQYMZQTOCNFJ-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.70 Å
- R-Value Free: 0.182
- R-Value Work: 0.166
- R-Value Observed: 0.171
- Space Group: P 61 2 2
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 93.759 | α = 90 |
| b = 93.759 | β = 90 |
| c = 131.34 | γ = 120 |
| Software Name | Purpose |
|---|---|
| MOSFLM | data reduction |
| SCALA | data scaling |
| CNS | refinement |
| CCP4 | data scaling |
| CNS | phasing |
Entry History
Deposition Data
- Released Date: 2003-01-10 Deposition Author(s): Senda, M., Senda, T., Kidokoro, S.
Revision History (Full details and data files)
- Version 1.0: 2003-01-10
Type: Initial release - Version 1.1: 2008-04-27
Changes: Version format compliance - Version 1.2: 2011-07-13
Changes: Atomic model, Database references, Derived calculations, Non-polymer description, Structure summary, Version format compliance - Version 1.3: 2024-03-13
Changes: Data collection, Database references, Derived calculations
