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5K0E

Crystal Structure of COMT in complex with 2,4-dimethyl-5-[3-(2-phenylpropan-2-yl)-1H-pyrazol-5-yl]-1,3-thiazole

Entity
Entity IDChain IDDescriptionTypeChain lengthFormula weightNumber of moleculesDB Name (Accession)Biological sourceDescriptive keywords
1A
(A)
Catechol O-methyltransferasepolymer21524047.51UniProt (P22734)
Pfam (PF01596)
Rattus norvegicus (Norway Rat)
2B
(A)
SODIUM IONnon-polymer23.01Chemie (NA)
3C
(A)
2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACIDnon-polymer207.31Chemie (NHE)
4D
(A)
CHLORIDE IONnon-polymer35.51Chemie (CL)
5E
(A)
2,4-dimethyl-5-[3-(2-phenylpropan-2-yl)-1H-pyrazol-5-yl]-1,3-thiazolenon-polymer297.41Chemie (6OZ)
6F
(A)
waterwater18.057Chemie (HOH)
Sequence modifications
A: 2 - 216 (UniProt: P22734)
PDBExternal DatabaseDetails
Ile 91Met 91engineered mutation
Cys 95Tyr 95engineered mutation
Glu 156Lys 156engineered mutation
Sequence viewer
Contents of the asymmetric unit
PolymersNumber of chains1
Total formula weight24047.5
Non-Polymers*Number of molecules4
Total formula weight563.2
All*Total formula weight24610.7
*Water molecules are not included.

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PDB entries from 2024-10-30

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