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Sequential resonance assignment of yeast cytosine deaminase in complex with a transition state analogue
Authors
Yao, L., Liu, A., Li, Y., Felczak, K., Li, G., Yan, H.
Assembly
YCD dimer
Entity
1. Yeast cytosine deaminase (polymer, Thiol state: free and other bound), 158 monomers, 17506.81 × 2 Da Detail

MVTGGMASKW DQKGMDIAYE EAALGYKEGG VPIGGCLINN KDGSVLGRGH NMRFQKGSAT LHGEISTLEN CGRLEGKVYK DTTLYTTLSP CDMCTGAIIM YGIPRCVVGE NVNFKSKGEK YLQTRGHEVV VVDDERCKKI MKQFIDERPQ DWFEDIGE


2. 5-fluorine, 2-hydroxypyrimidine (non-polymer), 1 monomers, na Da
3. ZN (non-polymer), 65.409 Da
Total weight
35079.03 Da
Max. entity weight
17506.81 Da
Entity Connection
na 4 Detail

IDTypeValue orderAtom ID 1Atom ID 2
1nasing1:CYS91:SG3:ZN1:ZN
2nasing1:CYS94:SG3:ZN1:ZN
3nasing1:CYS91:SG3:ZN1:ZN
4nasing1:CYS94:SG3:ZN1:ZN

Source organism
Saccharomyces cerevisiae
Exptl. method
NMR
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 96.2 %, Completeness: 53.8 %, Completeness (bb): 94.8 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All53.8 % (973 of 1807)39.4 % (370 of 939)65.7 % (456 of 694)84.5 % (147 of 174)
Backbone94.8 % (871 of 919)93.6 % (292 of 312)95.4 % (432 of 453)95.5 % (147 of 154)
Sidechain22.8 % (234 of 1025)12.4 % (78 of 627)41.3 % (156 of 378) 0.0 % (0 of 20)
Aromatic 0.0 % (0 of 124) 0.0 % (0 of 62) 0.0 % (0 of 60) 0.0 % (0 of 2)
Methyl16.0 % (24 of 150)12.0 % (9 of 75)20.0 % (15 of 75)

1. Yeast cytosine deaminase

MVTGGMASKW DQKGMDIAYE EAALGYKEGG VPIGGCLINN KDGSVLGRGH NMRFQKGSAT LHGEISTLEN CGRLEGKVYK DTTLYTTLSP CDMCTGAIIM YGIPRCVVGE NVNFKSKGEK YLQTRGHEVV VVDDERCKKI MKQFIDERPQ DWFEDIGE

Sample

Temperature 298 (±0.5) K, pH 7.0 (±0.1)


#NameIsotope labelingTypeConcentration
1Yeast cytosine deaminase[U-70% 2H, U-100% 13C, U-100% 15N]1.8 mM

LACS Plot; CA
Referencing offset: 0.1 ppm, Outliers: 2 Detail
LACS Plot; CB
Referencing offset: 0.1 ppm, Outliers: 2 Detail
LACS Plot; HA
Referencing offset: -0.07 ppm, Outliers: 2 Detail
LACS Plot; CO
Referencing offset: -0.3 ppm, Outliers: 3 Detail
Release date
2007-03-21
Citation
Simultaneous NMR assignment of backbone and side chain amides in large proteins with IS-TROSY
Liu, A., Li, Y., Yao, L., Yan, H.
J. Biomol. NMR (2006), 36, 205-214, PubMed 17091334 , DOI 10.1007/s10858-006-9072-3 ,
Related entities 1. Yeast cytosine deaminase, : 1 : 3 : 1 : 12 entities Detail
Interaction partners 1. Yeast cytosine deaminase, : 14 interactors Detail