BMRB Entry 19740

Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR19740

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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:
2014-01-19
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.
entity_HEM, non-polymer, 616.487 Da.
entity_CAM, non-polymer, 152.233 Da.
CYANIDE ION, non-polymer, 26.017 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: 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
13C chemical shifts960
15N chemical shifts297
1H chemical shifts306

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1CYP1011
2PROTOPORPHYRIN IX CONTAINING FE2
3CAMPHOR3
4CYANIDE ION4

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

1   HEM

Entity 3, CAMPHOR - C10 H16 O - 152.233 Da.

1   CAM

Entity 4, CYANIDE ION - C N - 26.017 Da.

1   CYN

Samples:

sample_1: CYP101, [U-13C; U-15N; U-2H], 0.53 mM; HEPES 20 mM; NaCN 100 mM; camphor 1 mM

p450camcn: ionic strength: 100.000 mM; pH: 7.400; pressure: 1.000 atm; temperature: 298.000 K

Experiments:

NameSampleSample stateSample conditions
TROSY-HNcoCACB (H[N[co[{CA|ca[C]}]]])sample_1isotropicp450camcn
3D TROSY-HNCACBsample_1isotropicp450camcn
2D 1H-15N TROSY-HSQC/HMQCsample_1isotropicp450camcn
TROSY-HNCACO (H[N[ca[CO]]])sample_1isotropicp450camcn
2D 1H-15N HSQC/HMQCsample_1isotropicp450camcn
3D TROSY-HNCOsample_1isotropicp450camcn
2D 1H-15N TROSY-HSQC/HMQCsample_1isotropicp450camcn

Software:

CcpNmr_Analysis v2.1, CCPN - Spectrum analysis

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

nmrPipe vany, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - Spectrum processing

NMR spectrometers:

  • Bruker Avance 800 MHz
  • Bruker Avance 950 MHz

Related Database Links:

BMRB 16753 17415 19038 19763
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