BMRB Entry 16464

Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16464

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Title:
Structural tightening and interdomain communication in the catalytic cycle of phosphoglycerate kinase
Deposition date:
2009-08-21
Original release date:
2009-12-11
Authors:
Marston, James; Cliff, Matthew; Reed, Michelle; Blackburn, G. Michael; Hounslow, Andrea; Craven, C. Jeremy; Waltho, Jonathan
Citation:

Citation: Marston, James; Cliff, Matthew; Reed, Michelle; Blackburn, G. Michael; Hounslow, Andrea; Craven, C. Jeremy; Waltho, Jonathan. "Structural Tightening and Interdomain Communication in the Catalytic Cycle of Phosphoglycerate Kinase."  J. Mol. Biol. 396, 345-360 (2010).
PubMed: 19944703

Assembly members:

Assembly members:
PGK, polymer, 394 residues, Formula weight is not available
ADP, non-polymer, 427.201 Da.
MG, non-polymer, 24.305 Da.
3PG, non-polymer, 186.057 Da.
ALF, non-polymer, 102.975 Da.

Natural source:

Natural source:   Common Name: Geobacillus stearothermophilus   Taxonomy ID: 1422   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Geobacillus stearothermophilus

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pKK223-3

Entity Sequences (FASTA):

Entity Sequences (FASTA):
PGK: MNKKTIRDVDVRGKRVFCRV DFNVPMEQGAITDDTRIRAA LPTIRYLIEHGAKVILASHL GRPKGKVVEELRLDAVAKRL GELLERPVAKTNEAVGDEVK AAVDRLNEGDVLLLENVRFY PGEEKNDPELAKAFAELADL YVNDAFGAAHRAHASTEGIA HYLPAVAGFLMEKELEVLGK ALSNPDRPFTAIIGGAKVKD KIGVIDNLLEKVDNLIIGGG LAYTFVKALGHDVGKSLLEE DKIELAKSFMEKAKEKGVRF YMPVDVVVADRFANDANTKV VPIDAIPADYSALDIGPKTR ELYRDVIRESKLVVWNGPMG VFEMDAFAHGTKAIAEALAE ALDTYSVIGGGDSAAAVEKF GLADKMDHISTGGGASLEFM EGKQLPGVVALEDK

Data sets:
Data typeCount
13C chemical shifts1049
15N chemical shifts363
1H chemical shifts363

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1PGK1
2Adenosine Diphosphate2
3Magnesium(+2) cation3
43-Phosphoglyceric acid4
5Tetrafluoroaluminate ion5

Entities:

Entity 1, PGK 394 residues - Formula weight is not available

1   METASNLYSLYSTHRILEARGASPVALASP
2   VALARGGLYLYSARGVALPHECYSARGVAL
3   ASPPHEASNVALPROMETGLUGLNGLYALA
4   ILETHRASPASPTHRARGILEARGALAALA
5   LEUPROTHRILEARGTYRLEUILEGLUHIS
6   GLYALALYSVALILELEUALASERHISLEU
7   GLYARGPROLYSGLYLYSVALVALGLUGLU
8   LEUARGLEUASPALAVALALALYSARGLEU
9   GLYGLULEULEUGLUARGPROVALALALYS
10   THRASNGLUALAVALGLYASPGLUVALLYS
11   ALAALAVALASPARGLEUASNGLUGLYASP
12   VALLEULEULEUGLUASNVALARGPHETYR
13   PROGLYGLUGLULYSASNASPPROGLULEU
14   ALALYSALAPHEALAGLULEUALAASPLEU
15   TYRVALASNASPALAPHEGLYALAALAHIS
16   ARGALAHISALASERTHRGLUGLYILEALA
17   HISTYRLEUPROALAVALALAGLYPHELEU
18   METGLULYSGLULEUGLUVALLEUGLYLYS
19   ALALEUSERASNPROASPARGPROPHETHR
20   ALAILEILEGLYGLYALALYSVALLYSASP
21   LYSILEGLYVALILEASPASNLEULEUGLU
22   LYSVALASPASNLEUILEILEGLYGLYGLY
23   LEUALATYRTHRPHEVALLYSALALEUGLY
24   HISASPVALGLYLYSSERLEULEUGLUGLU
25   ASPLYSILEGLULEUALALYSSERPHEMET
26   GLULYSALALYSGLULYSGLYVALARGPHE
27   TYRMETPROVALASPVALVALVALALAASP
28   ARGPHEALAASNASPALAASNTHRLYSVAL
29   VALPROILEASPALAILEPROALAASPTYR
30   SERALALEUASPILEGLYPROLYSTHRARG
31   GLULEUTYRARGASPVALILEARGGLUSER
32   LYSLEUVALVALTRPASNGLYPROMETGLY
33   VALPHEGLUMETASPALAPHEALAHISGLY
34   THRLYSALAILEALAGLUALALEUALAGLU
35   ALALEUASPTHRTYRSERVALILEGLYGLY
36   GLYASPSERALAALAALAVALGLULYSPHE
37   GLYLEUALAASPLYSMETASPHISILESER
38   THRGLYGLYGLYALASERLEUGLUPHEMET
39   GLUGLYLYSGLNLEUPROGLYVALVALALA
40   LEUGLUASPLYS

Entity 2, Adenosine Diphosphate - C10 H15 N5 O10 P2 - 427.201 Da.

1   ADP

Entity 3, Magnesium(+2) cation - Mg - 24.305 Da.

1   MG

Entity 4, 3-Phosphoglyceric acid - C3 H7 O7 P - 186.057 Da.

1   3PG

Entity 5, Tetrafluoroaluminate ion - Al F4 - 102.975 Da.

1   ALF

Samples:

sample_1: PGK, [U-100% 13C; U-100% 15N; U-80% 2H], 1 mM; TEA 80 mM; sodium azide 5 mM; DTT 5 mM; ADP 3 mM; magnesium chloride 3 mM; 3-phosphoglyceric acid 3 mM; Sodium fluoride 15 mM; Aluminium nitrate 1.5 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 0.1 M; pH: 7.5; pressure: 1 atm; temperature: 310 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N-TROSYsample_1isotropicsample_conditions_1
3D TROSY ct-HNCAsample_1isotropicsample_conditions_1
ct-HN(CO)CAsample_1isotropicsample_conditions_1
HN(CA)CBsample_1isotropicsample_conditions_1
HN(COCA)CBsample_1isotropicsample_conditions_1
3D TROSY HN(CA)COsample_1isotropicsample_conditions_1
3D TROSY HNCOsample_1isotropicsample_conditions_1

Software:

FELIX, Accelrys Software Inc. - all tasks

NMR spectrometers:

  • Bruker DRX 600 MHz

Related Database Links:

BMRB 16447 16451 17115
PDB
DBJ BAD77342 GAD14836 GAJ57507
EMBL CAA41093
GB ACX79693 ADI28008 ADU95522 AEV20724 AGE23620
REF WP_011232527 WP_013146368 WP_013524587 WP_015375782 WP_023633686
SP P18912 Q5KVE4
AlphaFold P18912 Q5KVE4

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks