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5P9X

humanized rat catechol O-methyltransferase in complex with N-[1-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]propan-2-yl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide

Entity
Entity IDChain IDDescriptionTypeChain lengthFormula weightNumber of moleculesDB Name (Accession)Biological sourceDescriptive keywords
1ACatechol O-methyltransferasepolymer22124694.31UniProt (P22734)
Pfam (PF01596)
In PDB
Rattus norvegicus (Rat)Humanized rat COMT
2AMAGNESIUM IONnon-polymer24.31Chemie (MG)
3ACHLORIDE IONnon-polymer35.52Chemie (CL)
4ASULFATE IONnon-polymer96.11Chemie (SO4)
5A2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACIDnon-polymer207.31Chemie (NHE)
6AN-[1-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]propan-2-yl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamidenon-polymer524.51Chemie (7JO)
7waterwater18.0236Chemie (HOH)
Sequence modifications
A: 1 - 221 (UniProt: P22734)
PDBExternal DatabaseDetails
Ile 91Met 134engineered mutation
Cys 95Tyr 138engineered mutation
Sequence viewer
Contents of the asymmetric unit
PolymersNumber of chains1
Total formula weight24694.3
Non-Polymers*Number of molecules6
Total formula weight923.1
All*Total formula weight25617.4
*Water molecules are not included.

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PDB entries from 2024-06-12

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