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5K0G

Crystal Structure of COMT in complex with 4-[5-[1-(4-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-1,3-dimethylpyrazole

Entity
Entity IDChain IDDescriptionTypeChain lengthFormula weightNumber of moleculesDB Name (Accession)Biological sourceDescriptive keywords
1A, BCatechol O-methyltransferasepolymer22024563.12UniProt (P22734)
Pfam (PF01596)
In PDB
Rattus norvegicus (Norway Rat)
2A, B2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACIDnon-polymer207.32Chemie (NHE)
3A, B5-[(1S)-1-(4-methoxyphenyl)ethyl]-1',3'-dimethyl-1'H,2H-3,4'-bipyrazolenon-polymer296.42Chemie (6PM)
4A, BSODIUM IONnon-polymer23.04Chemie (NA)
5waterwater18.0249Chemie (HOH)
Sequence modifications
A, B: 2 - 221 (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 chains2
Total formula weight49126.1
Non-Polymers*Number of molecules8
Total formula weight1099.3
All*Total formula weight50225.4
*Water molecules are not included.

225946

PDB entries from 2024-10-09

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