Download MendeleyChitinase inhibition by chitobiose and chitotriose thiazolines.
Macdonald, J.M., Tarling, C.A., Taylor, E.J., Dennis, R.J., Myers, D.S., Knapp, S., Davies, G.J., Withers, S.G.(2010) Angew Chem Int Ed Engl 49: 2599-2602
2WLY
Chitinase A from Serratia marcescens ATCC990 in complex with Chitotrio-thiazoline.
- PDB DOI: https://doi.org/10.2210/pdb2WLY/pdb
- Classification: HYDROLASE
- Organism(s): Serratia marcescens
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2009-06-29 Released: 2010-03-16
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.40 Å
- R-Value Free: 0.205
- R-Value Work: 0.155
- R-Value Observed: 0.158
This is version 1.4 of the entry. See complete history.
Literature
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| Chitinase | 548 | Serratia marcescens | Mutation(s): 0 |  | |
UniProt | |||||
Find proteins for P07254 (Serratia marcescens) Explore P07254 Go to UniProtKB: P07254 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P07254 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 4 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| SN5 Query on SN5 | J [auth A] | 2-deoxy-2-(ethanethioylamino)-beta-D-glucopyranose C8 H15 N O5 S BIHKKHHUWVSGSD-FMDGEEDCSA-N |  | ||
| NGT Query on NGT | K [auth A] | 3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL C8 H13 N O4 S DRHXTSWSUAJOJZ-FMDGEEDCSA-N |  | ||
| PEG Query on PEG | G [auth A], H [auth A], I [auth A] | DI(HYDROXYETHYL)ETHER C4 H10 O3 MTHSVFCYNBDYFN-UHFFFAOYSA-N |  | ||
| DIO Query on DIO | B [auth A], C [auth A], D [auth A], E [auth A], F [auth A] | 1,4-DIETHYLENE DIOXIDE C4 H8 O2 RYHBNJHYFVUHQT-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.40 Å
- R-Value Free: 0.205
- R-Value Work: 0.155
- R-Value Observed: 0.158
- Space Group: C 2 2 21
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 131.004 | α = 90 |
| b = 201.442 | β = 90 |
| c = 59.325 | γ = 90 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| DENZO | data reduction |
| SCALEPACK | data scaling |
| AMoRE | phasing |
Entry History
Deposition Data
- Released Date: 2010-03-16 Deposition Author(s): Taylor, E.J., Dennis, R.J., Macdonald, J.M., Tarling, C.A., Knapp, S., Withers, S.G., Davies, G.J.
Revision History (Full details and data files)
- Version 1.0: 2010-03-16
Type: Initial release - Version 1.1: 2011-10-12
Changes: Database references, Derived calculations, Refinement description, Version format compliance - Version 1.2: 2018-12-12
Changes: Data collection, Database references, Source and taxonomy, Structure summary - Version 1.3: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Data collection, Derived calculations, Other - Version 1.4: 2023-12-13
Changes: Data collection, Database references, Refinement description, Structure summary
