1UR9
Interactions of a family 18 chitinase with the designed inhibitor HM508, and its degradation product, chitobiono-delta-lactone
- PDB DOI: https://doi.org/10.2210/pdb1UR9/pdb
- Classification: HYDROLASE
- Organism(s): Serratia marcescens
- Expression System: Escherichia coli DH5[alpha]
- Mutation(s): Yes 
- Deposited: 2003-10-27 Released: 2004-04-27 
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.80 Å
- R-Value Free: 0.255 
- R-Value Work: 0.208 
- R-Value Observed: 0.208 
This is version 2.1 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 |
CHITINASE B | 499 | Serratia marcescens | Mutation(s): 1  EC: 3.2.1.14 | ||
UniProt | |||||
Find proteins for Q54276 (Serratia marcescens) Explore Q54276  Go to UniProtKB:  Q54276 | |||||
Entity Groups   | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
UniProt Group | Q54276 | ||||
Sequence AnnotationsExpand | |||||
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Oligosaccharides
Small Molecules
Ligands 3 Unique | |||||
---|---|---|---|---|---|
ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
PHJ Query on PHJ | AC [auth B], PA [auth A] | N-[(AMINOOXY)CARBONYL]-N-PHENYLAMINE C7 H8 N2 O2 YQHOHPOCZUAUKP-UHFFFAOYSA-N | |||
SO4 Query on SO4 | IA [auth A] JA [auth A] KA [auth A] LA [auth A] MA [auth A] | SULFATE ION O4 S QAOWNCQODCNURD-UHFFFAOYSA-L | |||
GOL Query on GOL | AA [auth A] AB [auth B] BA [auth A] BB [auth B] CA [auth A] | GLYCEROL C3 H8 O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.80 Å
- R-Value Free: 0.255 
- R-Value Work: 0.208 
- R-Value Observed: 0.208 
- Space Group: P 21 21 21
Unit Cell:
Length ( Å ) | Angle ( ˚ ) |
---|---|
a = 55.524 | α = 90 |
b = 104.177 | β = 90 |
c = 185.992 | γ = 90 |
Software Name | Purpose |
---|---|
CNS | refinement |
DENZO | data reduction |
SCALEPACK | data scaling |
CNS | phasing |
Entry History 
Deposition Data
- Released Date: 2004-04-27  Deposition Author(s): Vaaje-Kolstad, G., Vasella, A., Peter, M.G., Netter, C., Houston, D.R., Westereng, B., Synstad, B., Eijsink, V.G.H., Van Aalten, D.M.F.
Revision History (Full details and data files)
- Version 1.0: 2004-04-27
Type: Initial release - Version 1.1: 2015-04-15
Changes: Database references, Derived calculations, Non-polymer description, Other, Refinement description, Source and taxonomy, Structure summary, Version format compliance - Version 2.0: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Atomic model, Data collection, Derived calculations, Other, Structure summary - Version 2.1: 2023-12-13
Changes: Data collection, Database references, Refinement description, Structure summary