Crystal structure of transcriptional regulator TM1030 with octanol
Koclega, K.D., Chruszcz, M., Cooper, D.R., Petkowski, J.J., Tkaczuk, K.L., Joachimiak, A., Minor, W.To be published.
Experimental Data Snapshot
wwPDB Validation   3D Report Full Report
Entity ID: 1 | |||||
---|---|---|---|---|---|
Molecule | Chains | Sequence Length | Organism | Details | Image |
Transcriptional regulator, TetR family | 202 | Thermotoga maritima MSB8 | Mutation(s): 0  Gene Names: TM1030, TM_1030 | ||
UniProt | |||||
Find proteins for Q9X0C0 (Thermotoga maritima (strain ATCC 43589 / DSM 3109 / JCM 10099 / NBRC 100826 / MSB8)) Explore Q9X0C0  Go to UniProtKB:  Q9X0C0 | |||||
Entity Groups   | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
UniProt Group | Q9X0C0 | ||||
Sequence AnnotationsExpand | |||||
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Ligands 2 Unique | |||||
---|---|---|---|---|---|
ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
OC9 Query on OC9 | C [auth A], D [auth A] | OCTAN-1-OL C8 H18 O KBPLFHHGFOOTCA-UHFFFAOYSA-N | |||
EDO Query on EDO | E [auth A], F [auth A], G [auth B] | 1,2-ETHANEDIOL C2 H6 O2 LYCAIKOWRPUZTN-UHFFFAOYSA-N |
Modified Residues 1 Unique | |||||
---|---|---|---|---|---|
ID | Chains | Type | Formula | 2D Diagram | Parent |
MSE Query on MSE | A, B | L-PEPTIDE LINKING | C5 H11 N O2 Se | MET |
Length ( Å ) | Angle ( ˚ ) |
---|---|
a = 121.911 | α = 90 |
b = 50.429 | β = 129.15 |
c = 88.098 | γ = 90 |
Software Name | Purpose |
---|---|
DENZO | data reduction |
SCALEPACK | data scaling |
REFMAC | refinement |
PDB_EXTRACT | data extraction |
Blu-Ice | data collection |
HKL-2000 | data reduction |
HKL-2000 | data scaling |
MOLREP | phasing |