LECTURE 6
Spin systems in proteins
B
■ H H
1 \ /
H-N   H c-H
I I / H-C-C-C-H
II V H 0 = C   H /C-H
H~N   H   H H
I I H-C-C-H I I
0 = C   H     H |_|
1 \ /
H-N   H c-C
II// W H-C-C-C C-H
I I \ / 0 = C   H     /C = CX
1 H H
H-	N i	H i
H-	I c-i	I C i
0 =	i c 1	i H
H-	1 N i	H i
H-	I c-i	I C i
0 =	i c 1	i H
H-	1 N i	H i
H-	I c-i	I C i
0 =	i c	i H
H H
\ / .
C-H / \ H H
H H
\ /
c-c
// w
C-H
■ H H
1 \ /
H-N   H c-H I     I /
H-C-C-C-H
/ \ H H
1 H	A"	H
H i	H H	
		
I C i	-H	
i H	H	H
H	\	/
	c-	C
1	//	w
C	-c	c
|	\	/
H	p=	c\
	H	H
H-	N i	H i
H-	I c-i	I C i
0 =	i c 1	i H
H-	1 N i	H i
H-	I c-i	I C i
0 =	i c 1	i H
H-	1 N i	H i
H-	I c-i	I C i
0 =	i c	i H
H H
\ / .
C-H / \ H H
H H
\ /
c-c
// w
C-H
/ \ H H
H-	N i	H i
H-	I c-i	I C i
0 =	i c 1	i H
H-	1 N i	H i
H-	I c-i	I C i
0 =	i c 1	i H
H-	1 N i	H i
H-	I c-i	I C i
0 =	i c	i H
H H
\ / .
C-H / \ H H
H H
\ /
c-c
// w
C-H
/ \ H H
Presaturation
WATERGATE
3.5e+06
3.0e+06 h
2.5e+06 h
2.0e+06 h
1.5e+06 h
1 .Oe+06
5.0e+05
O.Oe+00 h
-5.0e+05
36.9 °C 42.4 °C 47.9 °C
53.4 °C 58.9 °C
64.5 °C
70.0 °C
75.6 °C
81.1 °C
86.7 °C 92.3 °C 97.9 °C
103.5 °C 109.1 °C 114.7 °C
1.2
1.0
0.8
0.6
0.4
0.2
5(H) / ppm
3.5e+06
3.0e+06 h
2.5e+06 h
2.0e+06 h
1.5e+06 h
1.0e+06 h
5.0e+05 h
O.Oe+00 h
-5.0e+05
36.9 °C 42.4 °C 47.9 °C
53.4 °C 58.9 °C
64.5 °C
70.0 °C
75.6 °C
81.1 °C
86.7 °C 92.3 °C 97.9 °C
103.5 °C 109.1 °C 114.7 °C
1.2
1.0
0.8
0.6
0.4
0.2
5(H) / ppm
1H-15N HSQC
S(15N)/ppm
J_I_L
* I
♦ •«
"O "O
3
HNCA, a triple resonance experiment
15N 13q«
13CO
J_   J_ y |4Jhn|4JHn| 1		1		—     — hi |4JHn|4Jhn I		ta
1 1	± -JL.tij 4Jnc |4JNC2	/ III	4JNc 1	1 y 4Jnc   I 1	I1	
					GARP	
	1 1	|t2|	1			
1		1				
amino acid_
G A
C, E,H,K,M,P,Q,R,V,W
D, F,I,L,N,Y,C (S-S) S,T
NMR Cf3 chemical shift
G no
A < 25 ppm
O 25 to 36 ppm
X 36 to 45 ppm
U 55 to 70 ppm
PACDEFGHIKLMNQRSTVWY 0A0X0XG0X0X0X00UU00X
a = HNCACB
b = CBCA(CO)NH
abababababababababab
Ši
í'-'.'-.i.'^áteäí
(BS
O
O C\l
o o
KT
O
a
O
to
Y80    S8J    V82    T83    Y84    085    G86   F87   N88    T89 F90
Zidek et a I., Biochemistry 1999