NMR Investigation of Tyr105 Mutants in TEM-1 beta-lactamase Suggests Active-Site Dynamical Coupling
HPETLVKVKD AEDQLGARVG YIELDLNSGK ILESFRPEER FPMMSTFKVL LCGAVLSRVD AGQEQLGRRI HYSQNDLVEN 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 | 33.2 % (987 of 2971) | 25.6 % (394 of 1539) | 29.7 % (344 of 1160) | 91.5 % (249 of 272) |
Backbone | 53.9 % (837 of 1554) | 53.1 % (284 of 535) | 39.7 % (305 of 768) | 98.8 % (248 of 251) |
Sidechain | 10.8 % (179 of 1659) | 11.2 % (112 of 1004) | 10.4 % (66 of 634) | 4.8 % (1 of 21) |
Aromatic | 9.6 % (14 of 146) | 12.3 % (9 of 73) | 7.2 % (5 of 69) | 0.0 % (0 of 4) |
Methyl | 10.7 % (35 of 326) | 12.3 % (20 of 163) | 9.2 % (15 of 163) |
1. TEM-1
HPETLVKVKD AEDQLGARVG YIELDLNSGK ILESFRPEER FPMMSTFKVL LCGAVLSRVD AGQEQLGRRI HYSQNDLVEN 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 (Y105N) | [U-13C; U-15N] | 0.8 mM | |
2 | imidazole | 4 mM | ||
3 | DSS | 0.1 mM | ||
4 | H2O | 90 % | ||
5 | D2O | 10 % |