Search

1H, 13C and 15N resonance assignments for the small GTPase RalB in its active conformation
Authors
Prasannan, S., Fenwick, R.BRYN., Campbell, L.J., Evetts, K., Nietlispach, D., Owen, D., Mott, H.R.
Assembly
RalB-GMPPNP
Entity
1. RalB (polymer, Thiol state: not present), 186 monomers, 21106.57 Da Detail

HMAANKSKGQ SSLALHKVIM VGSGGVGKSA LTLQFMYDEF VEDYEPTKAD SYRKKVVLDG EEVQIDILDT AGLEDYAAIR DNYFRSGEGF LLVFSITEHE SFTATAEFRE QILRVKAEED KIPLLVVGNK SDLEERRQVP VEEARSKAEE WGVQYVETSA KTRANVDKVF FDLMREIRTK KMSENK


2. GNP (non-polymer), 522.196 Da
3. MG (non-polymer), 24.305 Da
4. WATER (water), 18.015 × 2 Da
Total weight
21653.07 Da
Max. entity weight
21106.57 Da
Entity Connection
metal coordination 6, hydrogen 4 Detail

IDTypeValue orderAtom ID 1Atom ID 2
1metal coordinationsing1:SER29:OG3:MG1:MG
2metal coordinationsing1:THR47:OG13:MG1:MG
3metal coordinationsing2:GNP1:O2B3:MG1:MG
4metal coordinationsing2:GNP1:O2G3:MG1:MG
5metal coordinationsing4:HOH1:O3:MG1:MG
6metal coordinationsing4:HOH1:O3:MG1:MG
7hydrogensing1:SER29:OG2:GNP1:O2B
8hydrogensing1:THR47:OG12:GNP1:O2G
9hydrogensing1:THR47:N2:GNP1:O2G
10hydrogensing1:GLY72:N2:GNP1:O3G

Source organism
Homo sapiens
Exptl. method
solution NMR
Data set
assigned_chemical_shifts, heteronucl_NOEs, heteronucl_T1_relaxation, heteronucl_T2_relaxation, order_parameters
Chem. Shift Complete
Sequence coverage: 95.2 %, Completeness: 92.1 %, Completeness (bb): 92.5 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All92.1 % (2008 of 2180)91.5 % (1039 of 1135)92.7 % (788 of 850)92.8 % (181 of 195)
Backbone92.5 % (1027 of 1110)92.4 % (351 of 380)92.5 % (506 of 547)92.9 % (170 of 183)
Sidechain91.9 % (1144 of 1245)91.1 % (688 of 755)93.1 % (445 of 478)91.7 % (11 of 12)
Aromatic96.3 % (156 of 162)96.3 % (78 of 81)96.2 % (77 of 80)100.0 % (1 of 1)
Methyl98.0 % (200 of 204)98.0 % (100 of 102)98.0 % (100 of 102)

1. RalB

HMAANKSKGQ SSLALHKVIM VGSGGVGKSA LTLQFMYDEF VEDYEPTKAD SYRKKVVLDG EEVQIDILDT AGLEDYAAIR DNYFRSGEGF LLVFSITEHE SFTATAEFRE QILRVKAEED KIPLLVVGNK SDLEERRQVP VEEARSKAEE WGVQYVETSA KTRANVDKVF FDLMREIRTK KMSENK

Sample #1

Pressure 1 atm, Temperature 298 K, pH 7.6


#NameIsotope labelingTypeConcentration
1RalB[U-99% 13C; U-99% 15N]0.6 mM
2GMPPNPnone0.6 mM
3Magnesium chloridenone1 mM
4sodium chloridenone100 mM
5D2Onone10 %
6sodium azidenone0.05 %
7sodium phosphatenone50 mM
Sample #2

Pressure 1 atm, Temperature 298 K, pH 7.6


#NameIsotope labelingTypeConcentration
8RalB[U-99% 15N]0.6 mM
9GMPPNPnone0.6 mM
10Magnesium chloridenone1 mM
11sodium chloridenone100 mM
12D2Onone10 %
13sodium azidenone0.05 %
14sodium phosphatenone50 mM
Sample #3

Pressure 1 atm, Temperature 298 K, pH 7.6


#NameIsotope labelingTypeConcentration
15RalBnone0.6 mM
16GMPPNPnone0.6 mM
17Magnesium chloridenone1 mM
18sodium chloridenone100 mM
19D2Onone10 %
20sodium azidenone0.05 %
21sodium phosphatenone50 mM

Heteronucl. T1
127 T1 values in 1 lists
Coherence Sz, Field strength (1H) 500 MHz, Pressure 1 atm, Temperature 298 K, pH 7.6 Detail
Heteronucl. T2
127 T2 values in 1 lists
Coherence S(+,-), Field strength (1H) 500 MHz, Pressure 1 atm, Temperature 298 K, pH 7.6 Detail
Heteronucl. NOE
127 NOE values in 1 lists
Value type relative intensities, Field strength (1H) 500 MHz, Pressure 1 atm, Temperature 298 K, pH 7.6 Detail
Heteronucl. T1/T2
127 T1/T2 values in 1 lists
Field strength (1H) 500 MHz, Pressure 1 atm, Temperature 298 K, pH 7.6 Detail
Order parameters
127 S2 values in 1 lists
Pressure 1 atm, Temperature 298 K, pH 7.6 Detail
Release date
2007-04-29
Citation
1H, 13C and 15N resonance assignments for the small G protein RalB in its active conformation
Prasannan, S., Fenwick, R., Campbell, L.J., Evetts, K.A., Nietlispach, D., Owen, D., Mott, H.R.
Biomol. NMR Assign. (2007), 1, 147-149, PubMed 19636851 , DOI 10.1007/s12104-007-9040-1 ,
Related entities 1. RalB, : 1 : 8 : 291 entities Detail
Interaction partners 1. RalB, : 19 interactors Detail
Experiments performed 14 experiments Detail
Chemical shift validation 6 contents Detail
Keywords GTPase, NMR, RalB, assignment