NMR Investigation of Tyr105 Mutants in TEM-1 beta-lactamase Suggests Active-Site Dynamical Coupling
HPETLVKVKD AEDQLGARVG YIELDLNSGK ILESFRPEER FPMMSTFKVL LCGAVLSRVD AGQEQLGRRI HYSQNDLVEG SPVTEKHLTD GMTVRELCSA AITMSDNTAA NLLLTTIGGP KELTAFLHNM GDHVTRLDRW EPELNEAIPN DERDTTMPAA MATTLRKLLT GELLTLASRQ QLIDWMEADK VAGPLLRSAL PAGWFIADKS GAGERGSRGI IAALGPDGKP SRIVVIYTTG SQATMDERNR QIAEIGASLI KHW
ID | Type | Value order | Atom ID 1 | Atom ID 2 |
---|---|---|---|---|
1 | disulfide | sing | 1:CYS52:SG | 1:CYS98:SG |
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 31.7 % (939 of 2966) | 23.6 % (362 of 1536) | 28.4 % (329 of 1159) | 91.5 % (248 of 271) |
Backbone | 54.5 % (847 of 1554) | 53.2 % (285 of 536) | 40.9 % (314 of 767) | 98.8 % (248 of 251) |
Sidechain | 7.4 % (122 of 1653) | 7.7 % (77 of 1000) | 7.1 % (45 of 633) | 0.0 % (0 of 20) |
Aromatic | 0.0 % (0 of 146) | 0.0 % (0 of 73) | 0.0 % (0 of 69) | 0.0 % (0 of 4) |
Methyl | 9.5 % (31 of 326) | 11.7 % (19 of 163) | 7.4 % (12 of 163) |
1. TEM-1
HPETLVKVKD AEDQLGARVG YIELDLNSGK ILESFRPEER FPMMSTFKVL LCGAVLSRVD AGQEQLGRRI HYSQNDLVEG SPVTEKHLTD GMTVRELCSA AITMSDNTAA NLLLTTIGGP KELTAFLHNM GDHVTRLDRW EPELNEAIPN DERDTTMPAA MATTLRKLLT GELLTLASRQ QLIDWMEADK VAGPLLRSAL PAGWFIADKS GAGERGSRGI IAALGPDGKP SRIVVIYTTG SQATMDERNR QIAEIGASLI KHWTemperature 303 (±0.2) K, pH 6.6 (±0.2), Details 0.8 mM, pH 6.6 for all Y105X mutants
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TEM-1 (Y105G) | [U-13C; U-15N] | 0.8 mM | |
2 | imidazole | 4 mM | ||
3 | DSS | 0.1 mM | ||
4 | H2O | 90 % | ||
5 | D2O | 10 % |