BMRB Entry 19744

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR19744

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Title:
Ligand-dependent dynamics of the active-site lid in bacterial dimethylarginine dimethylaminohydrolase
Deposition date:
2014-01-20
Original release date:
2014-04-11
Authors:
Driscoll, Paul; Rasheed, Masooma
Citation:

Citation: Rasheed, Masooma; Richter, Christine; Chisty, Liisa; Kirkpatrick, John; Blackledge, Martin; Webb, Martin; Driscoll, Paul. "Ligand-dependent dynamics of the active-site lid in bacterial dimethylarginine dimethylaminohydrolase."  Biochemistry 53, 1092-1104 (2014).
PubMed: 24484052

Assembly members:

Assembly members:
PaDDAH, polymer, 254 residues, Formula weight is not available
CITRULLINE, non-polymer, 175.186 Da.

Natural source:

Natural source:   Common Name: g-proteobacteria   Taxonomy ID: 208964   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Pseudomonas aeruginosa

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pPROEX-HTa

Entity Sequences (FASTA):

Entity Sequences (FASTA):
PaDDAH: MFKHIIARTPARSLVDGLTS SHLGKPDYAKALEQHNAYIE ALQTCDVDITLLPPDERFPD SVFVEDPVLCTSRCAIITRP GAESRRGETEIIEETVQHFY PGKVERIEAPGTVEAGDIMM VGDHFYIGESARTNAEGARQ MIAILEKHGLSGSVVRLEKV LHLKTGLAYLEHNNLLAAGE FVSKPEFQDFNIIEIPEEES YAANCIWVNERVIMPAGYPR TREKIARLGYRVIEVDTSEY RKIDGGVSCMSLRF

Data sets:
Data typeCount
13C chemical shifts486
15N chemical shifts235
1H chemical shifts235

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Dimethylarginine Dimethylaminohydrolase1
2L-citrulline2

Entities:

Entity 1, Dimethylarginine Dimethylaminohydrolase 254 residues - Formula weight is not available

1   METPHELYSHISILEILEALAARGTHRPRO
2   ALAARGSERLEUVALASPGLYLEUTHRSER
3   SERHISLEUGLYLYSPROASPTYRALALYS
4   ALALEUGLUGLNHISASNALATYRILEGLU
5   ALALEUGLNTHRCYSASPVALASPILETHR
6   LEULEUPROPROASPGLUARGPHEPROASP
7   SERVALPHEVALGLUASPPROVALLEUCYS
8   THRSERARGCYSALAILEILETHRARGPRO
9   GLYALAGLUSERARGARGGLYGLUTHRGLU
10   ILEILEGLUGLUTHRVALGLNHISPHETYR
11   PROGLYLYSVALGLUARGILEGLUALAPRO
12   GLYTHRVALGLUALAGLYASPILEMETMET
13   VALGLYASPHISPHETYRILEGLYGLUSER
14   ALAARGTHRASNALAGLUGLYALAARGGLN
15   METILEALAILELEUGLULYSHISGLYLEU
16   SERGLYSERVALVALARGLEUGLULYSVAL
17   LEUHISLEULYSTHRGLYLEUALATYRLEU
18   GLUHISASNASNLEULEUALAALAGLYGLU
19   PHEVALSERLYSPROGLUPHEGLNASPPHE
20   ASNILEILEGLUILEPROGLUGLUGLUSER
21   TYRALAALAASNCYSILETRPVALASNGLU
22   ARGVALILEMETPROALAGLYTYRPROARG
23   THRARGGLULYSILEALAARGLEUGLYTYR
24   ARGVALILEGLUVALASPTHRSERGLUTYR
25   ARGLYSILEASPGLYGLYVALSERCYSMET
26   SERLEUARGPHE

Entity 2, L-citrulline - C6 H13 N3 O3 - 175.186 Da.

1   CIR

Samples:

sample_1: Psuedomonas aeruginosa Dimethylarginine Dimethylaminohydrolase 0.7 ± 0.01 uM; sodium phosphate 20 ± 0.01 mM; sodium chloride 100 ± 0.01 mM; H2O 90 ± 0.01 %; D2O, [U-100% 2H], 10 ± 0.01 %

sample_conditions_1: ionic strength: 0.1 M; pH: 7; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1

Software:

CCPNMR_Analysis v2.1, CCPN - chemical shift assignment

NMR spectrometers:

  • Bruker Avance 500 MHz

Related Database Links:

BMRB 19615 19616 19742 19743
PDB
DBJ BAK88928 BAP20511 BAP52091 BAQ41197 BAR69052
EMBL CAW28868 CCQ86504 CDH72250 CDH78521 CDI89341
GB AAG04584 ABJ10379 AEO76319 AFM66206 AGI82760
REF NP_249886 WP_003082466 WP_003086612 WP_003123128 WP_003133711
SP Q9I4E3
AlphaFold Q9I4E3

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