Crystal Structure of a COMT complex
Lerner, C., Jakob-Roetne, R., Groebke-Zbinden, K., Buettelmann, B., Rudolph, M.G.To be published.
Experimental Data Snapshot
Entity ID: 1 | |||||
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Molecule | Chains | Sequence Length | Organism | Details | Image |
Catechol O-methyltransferase | 221 | Rattus norvegicus | Mutation(s): 2  Gene Names: Comt EC: 2.1.1.6 | ||
UniProt | |||||
Find proteins for P22734 (Rattus norvegicus) Explore P22734  Go to UniProtKB:  P22734 | |||||
Entity Groups   | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
UniProt Group | P22734 | ||||
Sequence AnnotationsExpand | |||||
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Ligands 5 Unique | |||||
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ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
SAH Query on SAH | D [auth A], G [auth B] | S-ADENOSYL-L-HOMOCYSTEINE C14 H20 N6 O5 S ZJUKTBDSGOFHSH-WFMPWKQPSA-N | |||
7JJ Query on 7JJ | E [auth A], H [auth B] | 5-chloranyl-6-(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one C14 H8 Cl F N2 O2 ZRBUMFCLSOEMBA-UHFFFAOYSA-N | |||
CL Query on CL | I [auth B] | CHLORIDE ION Cl VEXZGXHMUGYJMC-UHFFFAOYSA-M | |||
MG Query on MG | C [auth A], F [auth B] | MAGNESIUM ION Mg JLVVSXFLKOJNIY-UHFFFAOYSA-N | |||
NA Query on NA | J [auth B] | SODIUM ION Na FKNQFGJONOIPTF-UHFFFAOYSA-N |
Length ( Å ) | Angle ( ˚ ) |
---|---|
a = 90.267 | α = 90 |
b = 159.965 | β = 90 |
c = 67.75 | γ = 90 |
Software Name | Purpose |
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XSCALE | data scaling |
PHENIX | refinement |
PDB_EXTRACT | data extraction |
XDS | data reduction |
PHASER | phasing |