BMRB Entry 17461

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR17461

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Title:
Multiple Cycles of Global Unfolding of GroEL-bound Cyclophilin A Evidenced by NMR
Deposition date:
2011-02-11
Original release date:
2012-06-06
Authors:
Nieba-Axmann, Sabine; Ottiger, Marcel; Wuthrich, Kurt; Pluckthun, Andreas
Citation:

Citation: Nieba-Axmann, Sabine; Ottiger, Marcel; Wuthrich, Kurt; Pluckthun, Andreas. "Multiple Cycles of Global Unfolding of GroEL-bound Cyclophilin A Evidenced by NMR"  J. Mol. Biol. 271, 803-818 (1997).

Assembly members:

Assembly members:
GroEL, polymer, 548 residues, Formula weight is not available
CypA, polymer, 165 residues, Formula weight is not available

Natural source:

Natural source:   Common Name: E. coli   Taxonomy ID: 562   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Escherichia coli

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pOF39

Entity Sequences (FASTA):

Entity Sequences (FASTA):
GroEL: MAAKDVKFGNDARVKMLRGV NVLADAVKVTLGPKGRNVVL DKSFGAPTITKDGVSVAREI ELEDKFENMGAQMVKEVASK ANDAAGDGTTTATVLAQAII TEGLKAVAAGMNPMDLKRGI DKAVTVAVEELKALSVPCSD SKAIAQVGTISANSDETVGK LIAEAMDKVGKEGVITVEDG TGLQDELDVVEGMQFDRGYL SPYFINKPETGAVELESPFI LLADKKISNIREMLPVLEAV AKAGKPLLIIAEDVEGEALA TLVVNTMRGIVKVAAVKAPG FGDRRKAMLQDIATLTGGTV ISEEIGMELEKATLEDLGQA KRVVINKDTTTIIDGVGEEA AIQGRVAQIRQQIEEATSDY DREKLQERVAKLAGGVAVIK VGAATEVEMKEKKARVEDAL HATRAAVEEGVVAGGGVALI RVASKLADLRGQNEDQNVGI KVALRAMEAPLRQIVLNCGE EPSVVANTVKGGDGNYGYNA ATEEYGNMIDMGILDPTKVT RSALQYAASVAGLMITTECM VTDLPKNDAADLGAAGGMGG MGGMGGMM
CypA: MVNPTVFFDIAVDGEPLGRV SFELFADKVPKTAENFRALS TGEKGFGYKGSCFHRIIPGF MCQGGDFTRHNGTGGKSIYG EKFEDENFILKHTGPGILSM ANAGPNTNGSQFFICTAKTE WLDGKHVVFGKVKEGMNIVE AMERFGSRNGKTSKKITIAD CGQLE

Data typeCount
kinetic rates11

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1GroEL1
2CypA2

Entities:

Entity 1, GroEL 548 residues - Formula weight is not available

1   METALAALALYSASPVALLYSPHEGLYASN
2   ASPALAARGVALLYSMETLEUARGGLYVAL
3   ASNVALLEUALAASPALAVALLYSVALTHR
4   LEUGLYPROLYSGLYARGASNVALVALLEU
5   ASPLYSSERPHEGLYALAPROTHRILETHR
6   LYSASPGLYVALSERVALALAARGGLUILE
7   GLULEUGLUASPLYSPHEGLUASNMETGLY
8   ALAGLNMETVALLYSGLUVALALASERLYS
9   ALAASNASPALAALAGLYASPGLYTHRTHR
10   THRALATHRVALLEUALAGLNALAILEILE
11   THRGLUGLYLEULYSALAVALALAALAGLY
12   METASNPROMETASPLEULYSARGGLYILE
13   ASPLYSALAVALTHRVALALAVALGLUGLU
14   LEULYSALALEUSERVALPROCYSSERASP
15   SERLYSALAILEALAGLNVALGLYTHRILE
16   SERALAASNSERASPGLUTHRVALGLYLYS
17   LEUILEALAGLUALAMETASPLYSVALGLY
18   LYSGLUGLYVALILETHRVALGLUASPGLY
19   THRGLYLEUGLNASPGLULEUASPVALVAL
20   GLUGLYMETGLNPHEASPARGGLYTYRLEU
21   SERPROTYRPHEILEASNLYSPROGLUTHR
22   GLYALAVALGLULEUGLUSERPROPHEILE
23   LEULEUALAASPLYSLYSILESERASNILE
24   ARGGLUMETLEUPROVALLEUGLUALAVAL
25   ALALYSALAGLYLYSPROLEULEUILEILE
26   ALAGLUASPVALGLUGLYGLUALALEUALA
27   THRLEUVALVALASNTHRMETARGGLYILE
28   VALLYSVALALAALAVALLYSALAPROGLY
29   PHEGLYASPARGARGLYSALAMETLEUGLN
30   ASPILEALATHRLEUTHRGLYGLYTHRVAL
31   ILESERGLUGLUILEGLYMETGLULEUGLU
32   LYSALATHRLEUGLUASPLEUGLYGLNALA
33   LYSARGVALVALILEASNLYSASPTHRTHR
34   THRILEILEASPGLYVALGLYGLUGLUALA
35   ALAILEGLNGLYARGVALALAGLNILEARG
36   GLNGLNILEGLUGLUALATHRSERASPTYR
37   ASPARGGLULYSLEUGLNGLUARGVALALA
38   LYSLEUALAGLYGLYVALALAVALILELYS
39   VALGLYALAALATHRGLUVALGLUMETLYS
40   GLULYSLYSALAARGVALGLUASPALALEU
41   HISALATHRARGALAALAVALGLUGLUGLY
42   VALVALALAGLYGLYGLYVALALALEUILE
43   ARGVALALASERLYSLEUALAASPLEUARG
44   GLYGLNASNGLUASPGLNASNVALGLYILE
45   LYSVALALALEUARGALAMETGLUALAPRO
46   LEUARGGLNILEVALLEUASNCYSGLYGLU
47   GLUPROSERVALVALALAASNTHRVALLYS
48   GLYGLYASPGLYASNTYRGLYTYRASNALA
49   ALATHRGLUGLUTYRGLYASNMETILEASP
50   METGLYILELEUASPPROTHRLYSVALTHR
51   ARGSERALALEUGLNTYRALAALASERVAL
52   ALAGLYLEUMETILETHRTHRGLUCYSMET
53   VALTHRASPLEUPROLYSASNASPALAALA
54   ASPLEUGLYALAALAGLYGLYMETGLYGLY
55   METGLYGLYMETGLYGLYMETMET

Entity 2, CypA 165 residues - Formula weight is not available

1   METVALASNPROTHRVALPHEPHEASPILE
2   ALAVALASPGLYGLUPROLEUGLYARGVAL
3   SERPHEGLULEUPHEALAASPLYSVALPRO
4   LYSTHRALAGLUASNPHEARGALALEUSER
5   THRGLYGLULYSGLYPHEGLYTYRLYSGLY
6   SERCYSPHEHISARGILEILEPROGLYPHE
7   METCYSGLNGLYGLYASPPHETHRARGHIS
8   ASNGLYTHRGLYGLYLYSSERILETYRGLY
9   GLULYSPHEGLUASPGLUASNPHEILELEU
10   LYSHISTHRGLYPROGLYILELEUSERMET
11   ALAASNALAGLYPROASNTHRASNGLYSER
12   GLNPHEPHEILECYSTHRALALYSTHRGLU
13   TRPLEUASPGLYLYSHISVALVALPHEGLY
14   LYSVALLYSGLUGLYMETASNILEVALGLU
15   ALAMETGLUARGPHEGLYSERARGASNGLY
16   LYSTHRSERLYSLYSILETHRILEALAASP
17   CYSGLYGLNLEUGLU

Samples:

sample_1: CypA, [U-100% 15N], 150 – 300 uM; GroEL150 – 300 uM; H2O 90%; D2O 10%

sample_2: CypA, [U-100% 15N], 1 uM; GroEL 1 uM; MES 1 mM; DTT 0.05 mM; H2O 100%

sample_3: CypA, [U-100% 15N], 1 uM; GroEL 1 uM; MES 1 mM; DTT 0.05 mM; potassium chloride 2 mM; magnesium chloride 2 mM; ADP 1 mM; H2O 100%

sample_4: CypA, [U-100% 15N], 1 uM; GroEL 1 uM; MES 1 mM; DTT 0.05 mM; potassium chloride 2 mM; magnesium chloride 2 mM; ATP 1 mM; H2O 100%

sample_5: CypA, [U-100% 15N], 1 uM; GroEL 1 uM; MES 1 mM; DTT 0.05 mM; potassium chloride 2 mM; magnesium chloride 2 mM; ADP 1 mM; GroES 2 uM; H2O 100%

sample_6: CypA, [U-100% 15N], 1 uM; GroEL 1 uM; MES 1 mM; DTT 0.05 mM; potassium chloride 2 mM; magnesium chloride 2 mM; ATP 1 mM; GroES 2 uM; H2O 100%

sample_conditions_1: pH: 6.0; pressure: 1 atm; temperature: 299 K

sample_conditions_2: pH: 6.0; pressure: 1 atm; temperature: 279 K

sample_conditions_3: pH: 6.0; pressure: 1 atm; temperature: 289 K

sample_conditions_4: pH: 6.0; pressure: 1 atm; temperature: 303 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_2isotropicsample_conditions_2
2D 1H-15N HSQCsample_3isotropicsample_conditions_2
2D 1H-15N HSQCsample_4isotropicsample_conditions_2
2D 1H-15N HSQCsample_5isotropicsample_conditions_2
2D 1H-15N HSQCsample_6isotropicsample_conditions_2
2D 1H-15N HSQCsample_5isotropicsample_conditions_3
2D 1H-15N HSQCsample_5isotropicsample_conditions_4
2D 1H-15N HSQCsample_6isotropicsample_conditions_4

Software:

PROSA, Guntert - data analysis, processing

XEASY, Bartels et al. - data analysis, processing

NMR spectrometers:

  • Bruker AMX 600 MHz

Related Database Links:

PDB
DBJ BAA25209 BAA25211 BAA25229 BAA94286 BAB38547 BAE01146 BAE30323 BAE87660 BAF82774 BAF83540
EMBL CAA30698 CAC16675 CAC18572 CAC18574 CAC18576 CAA34961 CAA37039 CAA68264 CAG32988 CAH91833
GB AAA85277 AAA97042 AAC77103 AAG59342 AAL09389 AAB81959 AAB81960 AAB81961 AAF69142 AAF78600
PIR AE1045 B86110 CSHYAC
PRF 1407243B 1503232A
REF NP_313151 NP_418567 NP_458769 NP_463194 NP_710008 NP_001009370 NP_001027981 NP_001126060 NP_001270275 NP_001271703
SP A1AJ51 A7ZV12 A8A7N9 A8AMQ6 A9MFR9 P14851 P62935 P62936 P62937 P62938
BMRB 17218 2208 25337 531 532
TPG DAA25853 DAA25854
AlphaFold A1AJ51 A7ZV12 A8A7N9 A8AMQ6 A9MFR9 P14851 P62935 P62936 P62937 P62938