BMRB Entry 26851
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR26851
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Title: 1H, 15N, 13C backbone resonance assignments of human soluble catechol O-methyltransferase in complex with 3,5-dinitrocatechol and Sinefungin PubMed: 31080692
Deposition date: 2016-07-13 Original release date: 2019-05-22
Authors: Baxter, Nicola; Czarnota, Sylwia
Citation: Czarnota, Sylwia; Johannissen, Linus; Baxter, Nicola; Rummel, Felix; Wilson, Alex; Cliff, Matthew; Levy, Colin; Scrutton, Nigel; Waltho, Jonathan; Hay, Sam. "Equatorial Active Site Compaction and Electrostatic Reorganization in Catechol-" ACS Catal. 9, 4394-4401 (2019).
Assembly members:
COMT, polymer, 233 residues, 26066 Da.
SINEFUNGIN, non-polymer, 381.387 Da.
3,5-DINITROCATECHOL, non-polymer, 200.106 Da.
MAGNESIUM ION, non-polymer, 24.305 Da.
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
COMT: MHHHHHHENLYFQGDTKEQR
ILNHVLQHAEPGNAQSVLEA
IDTYCEQKEWAMNVGDKKGK
IVDAVIQEHQPSVLLELGAY
CGYSAVRMARLLSPGARLIT
IEINPDCAAITQRMVDFAGV
KDKVTLVVGASQDIIPQLKK
KYDVDTLDMVFLDHWKDRYL
PDTLLLEECGLLRKGTVLLA
DNVICPGAPDFLAHVRGSSC
FECTHYQSFLEYREVVDGLE
KAIYKGPGSEAGP
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 639 |
| 15N chemical shifts | 204 |
| 1H chemical shifts | 204 |