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
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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

Related Database Links:

BMRB 16753 17415 19038 19763
PDB 1AKD 1C8J 1CP4 1DZ4 1DZ6 1DZ8 1DZ9 1GEB 1GEK 1GEM 1GJM 1IWI 1IWJ 1IWK 1J51 1K2O 1LWL 1MPW 1NOO 1O76 1P2Y 1P7R 1PHA 1PHB 1PHC 1PHD 1PHE 1PHF 1PHG 1QMQ 1RE9 1RF9 1T85 1T86 1T87 1T88 1UYU 1YRC 1YRD 2A1M 2A1N 2A1O 2CP4 2CPP 2FE6 2FER 2FEU 2FRZ 2GQX 2GR6 2H7Q 2H7R 2H7S 2L8M 2LQD 2M56 2QBL 2QBM 2QBN 2QBO 2Z97 2ZAW 2ZAX 2ZUH 2ZUI 2ZUJ 2ZWT 2ZWU 3CP4 3CPP 3FWF 3FWG 3FWI 3FWJ 3L61 3L62 3L63 3OIA 3OL5 3P6M 3P6N 3P6O 3P6P 3P6Q 3P6R 3P6S 3P6T 3P6U 3P6V 3P6W 3P6X 3W9C 3WRH 3WRI 3WRJ 3WRK 3WRL 3WRM 4CP4 4CPP 4EK1 4G3R 4JWS 4JWU 4JX1 4KKY 4L49 4L4A 4L4B 4L4C 4L4D 4L4E 4L4F 4L4G 5CP4 5CPP 6CP4 6CPP 7CPP 8CPP
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