Download MendeleyCrystal structure of transketolase in complex with thiamin diphosphate and calcium ion
Nocek, B., Makowska-Grzyska, M., Maltseva, N., Grimshaw, S., Joachimiak, A., Anderson, W., CSGID, NIAIDTo be published.
3M34
Crystal structure of transketolase in complex with thiamin diphosphate and calcium ion
- PDB DOI: https://doi.org/10.2210/pdb3M34/pdb
- Classification: TRANSFERASE
- Organism(s): Campylobacter jejuni subsp. jejuni NCTC 11168 = ATCC 700819
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2010-03-08 Released: 2010-04-28
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.65 Å
- R-Value Free: 0.182
- R-Value Work: 0.151
- R-Value Observed: 0.153
Starting Model: experimental
View more details
This is version 1.5 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 |
| Transketolase | 635 | Campylobacter jejuni subsp. jejuni NCTC 11168 = ATCC 700819 | Mutation(s): 0 Gene Names: tkt, Cj1645 EC: 2.2.1.1 |  | |
UniProt | |||||
Find proteins for Q0P7Y3 (Campylobacter jejuni subsp. jejuni serotype O:2 (strain ATCC 700819 / NCTC 11168)) Explore Q0P7Y3 Go to UniProtKB: Q0P7Y3 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q0P7Y3 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 4 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| TPP Query on TPP | F [auth A] | THIAMINE DIPHOSPHATE C12 H19 N4 O7 P2 S AYEKOFBPNLCAJY-UHFFFAOYSA-O |  | ||
| GOL Query on GOL | B [auth A], C [auth A] | GLYCEROL C3 H8 O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N |  | ||
| EDO Query on EDO | E [auth A] | 1,2-ETHANEDIOL C2 H6 O2 LYCAIKOWRPUZTN-UHFFFAOYSA-N |  | ||
| CA Query on CA | D [auth A] | CALCIUM ION Ca BHPQYMZQTOCNFJ-UHFFFAOYSA-N |  | ||
| Modified Residues 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Type | Formula | 2D Diagram | Parent |
| MSE Query on MSE | A | L-PEPTIDE LINKING | C5 H11 N O2 Se |  | MET |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.65 Å
- R-Value Free: 0.182
- R-Value Work: 0.151
- R-Value Observed: 0.153
- Space Group: C 1 2 1
- Diffraction Data: https://doi.org/10.18430/m33m34
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 130.35 | α = 90 |
| b = 70.819 | β = 109.92 |
| c = 69.236 | γ = 90 |
| Software Name | Purpose |
|---|---|
| SBC-Collect | data collection |
| MOLREP | phasing |
| REFMAC | refinement |
| HKL-3000 | data reduction |
| HKL-3000 | data scaling |
Entry History
Deposition Data
- Released Date: 2010-04-28 Deposition Author(s): Nocek, B., Makowska-Grzyska, M., Maltseva, N., Grimshaw, S., Joachimiak, A., Anderson, W., Center for Structural Genomics of Infectious Diseases (CSGID)
Revision History (Full details and data files)
- Version 1.0: 2010-04-28
Type: Initial release - Version 1.1: 2011-07-13
Changes: Version format compliance - Version 1.2: 2014-10-01
Changes: Structure summary - Version 1.3: 2023-09-06
Changes: Data collection, Database references, Derived calculations, Refinement description - Version 1.4: 2023-11-22
Changes: Data collection - Version 1.5: 2024-11-20
Changes: Structure summary
