Crystal 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.
Experimental Data Snapshot
Starting Model: experimental
View more details
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 | |||||
|
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 |
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 |