BMRB Entry 19763

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR19763

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Title:
The delicate conformational balance of a redox enzyme: Cytochrome P450cam does not open but remains closed when its partner putidaredoxin binds.
Deposition date:
2014-02-03
Original release date:
2015-06-22
Authors:
Skinner, Simon; Ubbink, Marcellus; Hiruma, Yoshitaka
Citation:

Citation: Skinner, Simon; Liu, Wei-Min; Hiruma, Yoshitaka; Timmer, Monika; Blok, Anneloes; Hass, Mathias; Ubbink, Marcellus. "Delicate conformational balance of the redox enzyme cytochrome P450cam"  Proc. Natl. Acad. Sci. USA ., .-. (2015).

Assembly members:

Assembly members:
CYP101, polymer, 414 residues, 46633.007 Da.
POTASSIUM ION, non-polymer, 39.098 Da.
CYANIDE ION, non-polymer, 26.017 Da.
PROTOPORPHYRIN IX CONTAINING FE, non-polymer, 616.487 Da.

Natural source:

Natural source:   Common Name: g-proteobacteria   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: pLysS

Entity Sequences (FASTA):

Entity Sequences (FASTA):
CYP101: TTETIQSNANLAPLPPHVPE HLVFDFDMYNPSNLSAGVQE AWAVLQESNVPDLVWTRCNG GHWIATRGQLIREAYEDYRH FSSECPFIPREAGEAYDFIP TSMDPPEQRQFRALANQVVG MPVVDKLENRIQELACSLIE SLRPQGQCNFTEDYAEPFPI RIFMLLAGLPEEDIPHLKYL TDQMTRPDGSMTFAEAKEAL YDYLIPIIEQRRQKPGTDAI SIVANGQVNGRPITSDEAKR MCGLLLVGGLDTVVNFLSFS MEFLAKSPEHRQELIERPER IPAACEELLRRFSLVADGRI LTSDYEFHGVQLKKGDQILL PQMLSGLDERENAAPMHVDF SRQKVSHTTFGHGSHLCLGQ HLARREIIVTLKEWLTRIPD FSIAPGAQIQHKSGIVSGVQ ALPLVWDPATTKAV

Data sets:
Data typeCount
15N chemical shifts207
1H chemical shifts207

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1CYP1011
2potassium ion2
3cyanide ion3
4Protoporphyrin IX containing Fe4

Entities:

Entity 1, CYP101 414 residues - 46633.007 Da.

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

Entity 2, potassium ion - 39.098 Da.

1   K

Entity 3, cyanide ion - 26.017 Da.

1   CYN

Entity 4, Protoporphyrin IX containing Fe - 616.487 Da.

1   HEM

Samples:

p450camCN: CYP101, [U-15N; U-2H], 0.34 mM; HEPES 20 mM; potassium cyanide 100 mM; H2O 90%; D2O, [U-100% 2H], 10%

p450camcn_conditions: ionic strength: 100.000 mM; pH: 7.400; pressure: 1.000 atm; temperature: 298.000 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N TROSY HSQC/HMQCp450camCNisotropicp450camcn_conditions

Software:

CcpNmr_Analysis v2.1, CCPN - Spectrum analysis

Topspin v2.1, Bruker - Data acquisition, Spectrum processing

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMR spectrometers:

  • Bruker Avance III 600 MHz

Related Database Links:

BMRB 16753 17415 19038 19740
PDB
DBJ BAN13286
GB AAA25760
REF WP_032492633 YP_009083112
SP P00183
AlphaFold P00183

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