Complexes of epoxide hydrolase from metagenomic source ch65
Isupov, M.N., De Rose, S.A., Mitchell, D., Littlechild, J.A., Parker, E., Ferrandi, E., Guazzelli, E., Monti, D.To be published.
Experimental Data Snapshot
Entity ID: 1 | |||||
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Molecule | Chains | Sequence Length | Organism | Details | Image |
Alpha/beta epoxide hydrolase | A [auth AAA], B [auth BBB] | 299 | metagenome | Mutation(s): 0 | |
UniProt | |||||
Find proteins for A0A1U9WZ52 (uncultured bacterium) Explore A0A1U9WZ52 Go to UniProtKB: A0A1U9WZ52 | |||||
Entity Groups | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
UniProt Group | A0A1U9WZ52 | ||||
Sequence AnnotationsExpand | |||||
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Ligands 5 Unique | |||||
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ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
P6G Query on P6G | M [auth BBB] | HEXAETHYLENE GLYCOL C12 H26 O7 IIRDTKBZINWQAW-UHFFFAOYSA-N | |||
PGE Query on PGE | E [auth AAA] | TRIETHYLENE GLYCOL C6 H14 O4 ZIBGPFATKBEMQZ-UHFFFAOYSA-N | |||
2CH (Subject of Investigation/LOI) Query on 2CH | C [auth AAA], N [auth BBB] | 2-CHLOROPHENOL C6 H5 Cl O ISPYQTSUDJAMAB-UHFFFAOYSA-N | |||
EDO Query on EDO | D [auth AAA] F [auth AAA] G [auth AAA] H [auth AAA] I [auth AAA] | 1,2-ETHANEDIOL C2 H6 O2 LYCAIKOWRPUZTN-UHFFFAOYSA-N | |||
CL Query on CL | K [auth AAA], L [auth AAA] | CHLORIDE ION Cl VEXZGXHMUGYJMC-UHFFFAOYSA-M |
Length ( Å ) | Angle ( ˚ ) |
---|---|
a = 69.21 | α = 90 |
b = 46.19 | β = 98 |
c = 92.14 | γ = 90 |
Software Name | Purpose |
---|---|
REFMAC | refinement |
XDS | data reduction |
XSCALE | data scaling |
MOLREP | phasing |
Coot | model building |
BUSTER | refinement |
PARROT | phasing |
Funding Organization | Location | Grant Number |
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European Union (EU) | European Union | 265933 |