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BMRB: 5820


5820
1PJZ
Tertiary structure of thiopurine methyltransferase from Pseudomonas syringae, the bacterial orthologue of a polymorphic, drug-metabolizing enzyme
Authors
Scheuermann, T.H., Lolis, E., Hodsdon, M.E.
Assembly
Thiopurine Methyltransferase
Entity
1. Thiopurine Methyltransferase (polymer, Thiol state: all free), 203 monomers, 22566.27 Da Detail

GSHQSEVNKD LQQYWSSLNV VPGARVLVPL CGKSQDMSWL SGQGYHVVGA ELSEAAVERY FTERGEQPHI TSQGDFKVYA APGIEIWCGD FFALTARDIG HCAAFYDRAA MIALPADMRE RYVQHLEALM PQACSGLLIT LEYDQALLEG PPFSVPQTWL HRVMSGNWEV TKVGGQDTLH SSARGLKAGL ERMDEHVYVL ERV


Formula weight
22566.27 Da
Source organism
Pseudomonas syringae
Exptl. method
NMR
Refine. method
simulated annealing, molecular dynamics
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 99.0 %, Completeness: 84.8 %, Completeness (bb): 97.1 % Detail
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Polymer type: polypeptide(L)

Total1H13C15N
All84.8 % (1962 of 2313)81.4 % (970 of 1192)87.8 % (796 of 907)91.6 % (196 of 214)
Backbone97.1 % (1165 of 1200)96.6 % (401 of 415)97.0 % (573 of 591)98.5 % (191 of 194)
Sidechain75.5 % (980 of 1298)73.2 % (569 of 777)81.0 % (406 of 501)25.0 % (5 of 20)
Aromatic38.9 % (84 of 216)41.7 % (45 of 108)34.0 % (35 of 103)80.0 % (4 of 5)
Methyl94.2 % (211 of 224)94.6 % (106 of 112)93.8 % (105 of 112)

1. thiopurine methyltransferase

GSHQSEVNKD LQQYWSSLNV VPGARVLVPL CGKSQDMSWL SGQGYHVVGA ELSEAAVERY FTERGEQPHI TSQGDFKVYA APGIEIWCGD FFALTARDIG HCAAFYDRAA MIALPADMRE RYVQHLEALM PQACSGLLIT LEYDQALLEG PPFSVPQTWL HRVMSGNWEV TKVGGQDTLH SSARGLKAGL ERMDEHVYVL ERV

Show sample condition
Sample

Temperature 293 (±0.1) K, pH 6.8 (±0.02)


#NameIsotope labelingTypeConcentration
1thiopurine methyltransferase[U-98% 13C; U-98% 15N]1.5 mM
2potassium phosphate20 mM
3sodium chloride150 mM
4sodium azide0.05 %
5leupeptin1 uM
6pepstatin1 uM
7PMSF1 uM
8D205 %

LACS Plot; CA
Referencing offset: -0.71 ppm, Outliers: 2 Detail
LACS Plot; CB
Referencing offset: -0.71 ppm, Outliers: 2 Detail
LACS Plot; HA
Referencing offset: -0.07 ppm, Outliers: 6 Detail
LACS Plot; CO
Referencing offset: -0.01 ppm, Outliers: 2 Detail
Protein Blocks Logo
Calculated from 20 models in PDB: 1PJZ, Strand ID: A Detail

Release date
2003-10-16
Citation
Tertiary structure of thiopurine methyltransferase from Pseudomonas syringae, a bacterial orthologue of a polymorphic, drug-metabolizing enzyme
Scheuermann, T.H., Lolis, E., Hodsdon, M.E.
J. Mol. Biol. (2003), 333, 573-585, PubMed 14556746 , DOI: ,
Related entities 1. Thiopurine Methyltransferase, : 1 : 1 : 93 entities Detail
More details for 95 related entities
Experiments performed 1 experiments Detail
nullKeywords Thiopurine Methyltransferase, drug metabolism, S-adenosylmethionine, polymorphism