Crystal structure of a shortened IpgC variant in complex with chlorzoxazone
Gardonyi, M., Heine, A., Klebe, G.To be published.
Experimental Data Snapshot
Starting Model: experimental
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Entity ID: 1 | |||||
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Molecule | Chains | Sequence Length | Organism | Details | Image |
Chaperone protein IpgC | 143 | Shigella flexneri | Mutation(s): 0  Gene Names: ipgC, ippI, CP0129 | ||
UniProt | |||||
Find proteins for P0A2U4 (Shigella flexneri) Explore P0A2U4  Go to UniProtKB:  P0A2U4 | |||||
Entity Groups   | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
UniProt Group | P0A2U4 | ||||
Sequence AnnotationsExpand | |||||
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Ligands 3 Unique | |||||
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ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
CLW Query on CLW | D [auth A] | CHLORZOXAZONE C7 H4 Cl N O2 TZFWDZFKRBELIQ-UHFFFAOYSA-N | |||
CL Query on CL | C [auth A], F [auth B] | CHLORIDE ION Cl VEXZGXHMUGYJMC-UHFFFAOYSA-M | |||
MG Query on MG | E [auth B] | MAGNESIUM ION Mg JLVVSXFLKOJNIY-UHFFFAOYSA-N |
Length ( ? ) | Angle ( ? ) |
---|---|
a = 57.515 | ¦Á = 90 |
b = 57.515 | ¦Â = 90 |
c = 159.526 | ¦Ă = 120 |
Software Name | Purpose |
---|---|
PHENIX | refinement |
XDS | data reduction |
XDS | data scaling |
PHASER | phasing |
Coot | model building |