BMRB Entry 19038

Title:
The structure of the complex of cytochrome P450cam and its electron donor putidaredoxin determined by paramagnetic NMR spectroscopy
Deposition date:
2013-02-14
Original release date:
2013-08-14
Authors:
Hiruma, Yoshitaka; Hass, Mathias; Ubbink, Marcellus
Citation:

Citation: Hiruma, Yoshitaka; Hass, Mathias; Kikui, Yuki; Liu, Wei-Min; Olmez, Betul; Skinner, Simon; Blok, Anneloes; Kloosterman, Alexander; Koteishi, Hiroyasu; Lohr, Frank; Schwalbe, Harald; Nojiri, Masaki; Ubbink, Marcellus. "The structure of the cytochrome p450cam-putidaredoxin complex determined by paramagnetic NMR spectroscopy and crystallography."  J. Mol. Biol. 425, 4353-4365 (2013).
PubMed: 23856620

Assembly members:

Assembly members:
entity_1, polymer, 404 residues, 45528.285 Da.
entity_2, polymer, 106 residues, 11412.917 Da.
entity_HEM, non-polymer, 616.487 Da.
entity_CAM, non-polymer, 152.233 Da.
entity_FES, non-polymer, 175.820 Da.

Natural source:

Natural source:   Common Name: Pseudomonas putida   Taxonomy ID: 303   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Pseudomonas putida

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET28a

Data sets:
Data typeCount
15N chemical shifts247
1H chemical shifts247

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Camphor 5-monooxygenase1
2Putidaredoxin2
3PROTOPORPHYRIN IX CONTAINING FE3
4N-(TRANS-4'-NITRO-4-STILBENYL)-N-METHYL-5-AMINO-PENTANOIC ACID_14
5N-(TRANS-4'-NITRO-4-STILBENYL)-N-METHYL-5-AMINO-PENTANOIC ACID_14
6N-(TRANS-4'-NITRO-4-STILBENYL)-N-METHYL-5-AMINO-PENTANOIC ACID_14
7N-(TRANS-4'-NITRO-4-STILBENYL)-N-METHYL-5-AMINO-PENTANOIC ACID_14
8N-(TRANS-4'-NITRO-4-STILBENYL)-N-METHYL-5-AMINO-PENTANOIC ACID_14
9N-(TRANS-4'-NITRO-4-STILBENYL)-N-METHYL-5-AMINO-PENTANOIC ACID_14
10N-(TRANS-4'-NITRO-4-STILBENYL)-N-METHYL-5-AMINO-PENTANOIC ACID_14
11FE2/S2 (INORGANIC) CLUSTER5

Entities:

Entity 1, Camphor 5-monooxygenase 404 residues - 45528.285 Da.

1   LEUALAPROLEUPROPROHISVALPROGLU
2   HISLEUVALPHEASPPHEASPMETTYRASN
3   PROSERASNLEUSERALAGLYVALGLNGLU
4   ALATRPALAVALLEUGLNGLUSERASNVAL
5   PROASPLEUVALTRPTHRARGCYSASNGLY
6   GLYHISTRPILEALATHRARGGLYGLNLEU
7   ILEARGGLUALATYRGLUASPTYRARGHIS
8   PHESERSERGLUCYSPROPHEILEPROARG
9   GLUALAGLYGLUALATYRASPPHEILEPRO
10   THRSERMETASPPROPROGLUGLNARGGLN
11   PHEARGALALEUALAASNGLNVALVALGLY
12   METPROVALVALASPLYSLEUGLUASNARG
13   ILEGLNGLULEUALACYSSERLEUILEGLU
14   SERLEUARGPROGLNGLYGLNCYSASNPHE
15   THRGLUASPTYRALAGLUPROPHEPROILE
16   ARGILEPHEMETLEULEUALAGLYLEUPRO
17   GLUGLUASPILEPROHISLEULYSTYRLEU
18   THRASPGLNMETTHRARGPROASPGLYSER
19   METTHRPHEALAGLUALALYSGLUALALEU
20   TYRASPTYRLEUILEPROILEILEGLUGLN
21   ARGARGGLNLYSPROGLYTHRASPALAILE
22   SERILEVALALAASNGLYGLNVALASNGLY
23   ARGPROILETHRSERASPGLUALALYSARG
24   METCYSGLYLEULEULEUVALGLYGLYLEU
25   ASPTHRVALVALASNPHELEUSERPHESER
26   METGLUPHELEUALALYSSERPROGLUHIS
27   ARGGLNGLULEUILEGLNARGPROGLUARG
28   ILEPROALAALACYSGLUGLULEULEUARG
29   ARGPHESERLEUVALALAASPGLYARGILE
30   LEUTHRSERASPTYRGLUPHEHISGLYVAL
31   GLNLEULYSLYSGLYASPGLNILELEULEU
32   PROGLNMETLEUSERGLYLEUASPGLUARG
33   GLUASNALACYSPROMETHISVALASPPHE
34   SERARGGLNLYSVALSERHISTHRTHRPHE
35   GLYHISGLYSERHISLEUCYSLEUGLYGLN
36   HISLEUALAARGARGGLUILEILEVALTHR
37   LEULYSGLUTRPLEUTHRARGILEPROASP
38   PHESERILEALAPROGLYALAGLNILEGLN
39   HISLYSSERGLYILEVALSERGLYVALGLN
40   ALALEUPROLEUVALTRPASPPROALATHR
41   THRLYSALAVAL

Entity 2, Putidaredoxin 106 residues - 11412.917 Da.

1   SERLYSVALVALTYRVALSERHISASPGLY
2   THRARGARGGLULEUASPVALALAASPGLY
3   VALSERLEUMETGLNALAALAVALSERASN
4   GLYILETYRASPILEVALGLYASPCYSGLY
5   GLYSERALASERCYSALATHRCYSHISVAL
6   TYRVALASNGLUALAPHETHRASPLYSVAL
7   PROALAALAASNGLUARGGLUILEGLYMET
8   LEUGLUSERVALTHRALAGLULEULYSPRO
9   ASNSERARGLEUCYSCYSGLNILEILEMET
10   THRPROGLULEUASPGLYILEVALVALASP
11   VALPROASPARGGLNTRP

Entity 3, PROTOPORPHYRIN IX CONTAINING FE - C34 H32 Fe N4 O4 - 616.487 Da.

1   HEM

Entity 4, N-(TRANS-4'-NITRO-4-STILBENYL)-N-METHYL-5-AMINO-PENTANOIC ACID_1 - C10 H16 O - 152.233 Da.

1   CAM

Entity 5, FE2/S2 (INORGANIC) CLUSTER - Fe2 S2 - 175.820 Da.

1   FES

Samples:

sample_1: Camphor 5-monooxygenase, [U-95% 15N], 100 uM; Putidaredoxin, [U-95% 15N], 100 uM

sample_conditions_1: ionic strength: 100 mM; pH: 7.4; pressure: 1 atm; temperature: 290 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-15N TROSYsample_1isotropicsample_conditions_1

Software:

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - structure solution

NMR spectrometers:

  • Bruker Avance 600 MHz
  • Bruker Avance 800 MHz
  • Bruker Avance 950 MHz

Related Database Links:

UNP P00183 P00259
BMRB 16753 17415 19740 19763 1551 16753 2278 4149 4154
PDB
DBJ BAN13286 BAA00414 BAN13288
GB AAA25760 AAA25759
REF WP_032492633 YP_009083112 WP_032492635 YP_009083114
SP P00183 P00259
AlphaFold P00183 P00259 P00183 P00259

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