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Solution Structure of the Target Recognition Domain of Zoocin A
Authors
Timkovich, R., Chen, Y., Simmonds, R.S.
Assembly
Target Recognition Domain of Zoocin A
Entity
1. Target Recognition Domain of Zoocin A (polymer, Thiol state: not present), 128 monomers, 14072.50 Da Detail

MRGSHHHHHH GSEPTTPTTN LKIYKVDDLQ KINGIWQVRN NILVPTDFTW VDNGIAADDV IEVTSNGTRT SDQVLQKGGY FVINPNNVKS VGTPMKGSGG LSWAQVNFTT GGNVWLNTTS KDNLLYGK


Formula weight
14072.5 Da
Source organism
Streptococcus equi subsp. zooepidemicus
Exptl. method
solution NMR
Refine. method
simulated annealing, molecular dynamics
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 100.0 %, Completeness: 86.5 %, Completeness (bb): 97.2 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All86.5 % (1260 of 1457)84.9 % (636 of 749)86.0 % (484 of 563)96.6 % (140 of 145)
Backbone97.2 % (737 of 758)97.4 % (258 of 265)97.3 % (360 of 370)96.7 % (119 of 123)
Sidechain78.4 % (637 of 813)78.1 % (378 of 484)77.5 % (238 of 307)95.5 % (21 of 22)
Aromatic29.4 % (37 of 126)52.4 % (33 of 63) 0.0 % (0 of 59)100.0 % (4 of 4)
Methyl92.3 % (131 of 142)93.0 % (66 of 71)91.5 % (65 of 71)

1. Target Recognition Domain of Zoocin A

MRGSHHHHHH GSEPTTPTTN LKIYKVDDLQ KINGIWQVRN NILVPTDFTW VDNGIAADDV IEVTSNGTRT SDQVLQKGGY FVINPNNVKS VGTPMKGSGG LSWAQVNFTT GGNVWLNTTS KDNLLYGK

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 297 (±2) K, pH 7.0 (±0.1), Details pH 7.0


#NameIsotope labelingTypeConcentration
1Target Recognition Domain of Zoocin A[U-95% 13C; U-90% 15N]2.4 (±0.1) mM
2potassium phosphatenatural abundance10 (±0.1) mM
3sodium azidenatural abundance0.1 (±0.01) mM
4H2Onatural abundance95 %
5D2Onatural abundance5 %
Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 297 (±2) K, pH 7.0 (±0.1), Details multiple samples of N-15 enriched protein were employed in this study at pH values ranging from 5.6 to 7.0.


#NameIsotope labelingTypeConcentration
6Target Recognition Domain of Zoocin A[U-90% 15N]0.7 ~ 1.4 mM
7potassium phosphatenatural abundance10 mM
8sodium azidenatural abundance0.1 mM
9H2Onatural abundance95 %
10D2Onatural abundance5 %
Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 297 (±2) K, pH 7.0 (±0.1)


#NameIsotope labelingTypeConcentration
11Target Recognition Domain of Zoocin Anatural abundance0.7 ~ 1.4 mM
12potassium phosphatenatural abundance10 mM
13sodium azidenatural abundance0.1 mM
14H2Onatural abundance90 %
15D2Onatural abundance10 %
Sample #4

Solvent system 99.8% D2O, Pressure 1 atm, Temperature 297 (±2) K, pH 7.0 (±0.1)


#NameIsotope labelingTypeConcentration
16Target Recognition Domain of Zoocin Anatural abundance0.7 ~ 1.4 mM
17potassium phosphatenatural abundance10 mM
18sodium azidenatural abundance0.1 mM
19D2Onatural abundance99.8 %

LACS Plot; CA
Referencing offset: 0.0 ppm, Outliers: 2 Detail
LACS Plot; CB
Referencing offset: 0.0 ppm, Outliers: 2 Detail
LACS Plot; HA
Referencing offset: -0.01 ppm, Outliers: 1 Detail
LACS Plot; CO
Referencing offset: 0.5 ppm, Outliers: 1 Detail
Protein Blocks Logo
Calculated from 10 models in PDB: 2LS0, Strand ID: 1 Detail


Release date
2012-04-11
Citation
Solution structure of the recombinant target recognition domain of zoocin A
Chen, Y., Simmonds, R.S., Young, J.K., Timkovich, R.
Proteins (2013), 81, 722-727, PubMed 23184858 , DOI 10.1002/prot.24224 ,
Related entities 1. Target Recognition Domain of Zoocin A, : 1 : 1 entities Detail
Experiments performed 15 experiments Detail
NMR combined restraints 6 contents Detail
Keywords specificity, target recognition domain, TRD, zoocin