BMRB Entry 52004

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52004

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Title:
Identifying structural and dynamics changes during the Biliverdin Reductase B catalytic cycle
Deposition date:
2023-06-16
Original release date:
2023-09-11
Authors:
Lee, Eunjeong
Citation:

Citation: Lee, Eunjeong; McLeod, Matthew; Redzic, Jasmina; Marcolin, Barbara; Thorne, Robert; Agarwal, Pratul; Eisenmesser, Elan Zohar. "Identifying structural and dynamic changes during the Biliverdin Reductase B catalytic cycle"  Front Mol Biosci 10, 1244587-1244587 (2023).
PubMed: 37645217

Assembly members:

Assembly members:
entity_1, polymer, 206 residues, Formula weight is not available
entity_NDP, non-polymer, 745.421 Da.

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: Pet 21

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MAVKKIAIFGATGQTGLTTL AQAVQAGYEVTVLVRDSSRL PSEGPRPAHVVVGDVLQAAD VDKTVAGQDAVIVLLGTRND LSPTTVMSEGARNIVAAMKA HGVDKVVACTSAFLLWDPTK VPPRLQAVTDDHIRMHKVLR ESGLKYVAVMPPHIGDQPLT GAYTVTLDGRGPSRVISKHD LGHFMLRCLTTDEYDGHSTY PSHQYQ

Data sets:
Data typeCount
13C chemical shifts271
15N chemical shifts182
1H chemical shifts183

Additional metadata:

  • Assembly
  • Samples and Experiments
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  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1BLVRB1
2NADPH2

Entities:

Entity 1, BLVRB 206 residues - Formula weight is not available

1   METALAVALLYSLYSILEALAILEPHEGLY
2   ALATHRGLYGLNTHRGLYLEUTHRTHRLEU
3   ALAGLNALAVALGLNALAGLYTYRGLUVAL
4   THRVALLEUVALARGASPSERSERARGLEU
5   PROSERGLUGLYPROARGPROALAHISVAL
6   VALVALGLYASPVALLEUGLNALAALAASP
7   VALASPLYSTHRVALALAGLYGLNASPALA
8   VALILEVALLEULEUGLYTHRARGASNASP
9   LEUSERPROTHRTHRVALMETSERGLUGLY
10   ALAARGASNILEVALALAALAMETLYSALA
11   HISGLYVALASPLYSVALVALALACYSTHR
12   SERALAPHELEULEUTRPASPPROTHRLYS
13   VALPROPROARGLEUGLNALAVALTHRASP
14   ASPHISILEARGMETHISLYSVALLEUARG
15   GLUSERGLYLEULYSTYRVALALAVALMET
16   PROPROHISILEGLYASPGLNPROLEUTHR
17   GLYALATYRTHRVALTHRLEUASPGLYARG
18   GLYPROSERARGVALILESERLYSHISASP
19   LEUGLYHISPHEMETLEUARGCYSLEUTHR
20   THRASPGLUTYRASPGLYHISSERTHRTYR
21   PROSERHISGLNTYRGLN

Entity 2, NADPH - C21 H30 N7 O17 P3 - 745.421 Da.

1   NDP

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SPARKY: Backbone or all simulated peaks