BMRB Entry 17415

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PDB ID: 2lqd
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR17415
MolProbity Validation Chart

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Title:
Reduced and CO-bound cytochrome P450cam (CYP101A1)
Deposition date:
2011-01-19
Original release date:
2011-02-23
Authors:
Pochapsky, Thomas; Pochapsky, Susan; Dang, Marina; Asciutto, Eliana; Madura, Jeffry
Citation:

Citation: Asciutto, Eliana; Dang, Marina; Pochapsky, Susan Sondej; Madura, Jeffry; Pochapsky, Thomas. "Experimentally Restrained Molecular Dynamics Simulations for Characterizing the Open States of Cytochrome P450(cam)."  Biochemistry 50, 1664-1671 (2011).
PubMed: 21265500

Assembly members:

Assembly members:
entity_1, polymer, 413 residues, 45643.371 Da.
HEM, non-polymer, 616.487 Da.
CAM, non-polymer, 152.233 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: N/A

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: TETIQSNANLAPLPPHVPEH LVFDFDMYNPSNLSAGVQEA WAVLQESNVPDLVWTRCNGG HWIATRGQLIREAYEDYRHF SSECPFIPREAGEAYDFIPT SMDPPEQRQFRALANQVVGM PVVDKLENRIQELACSLIES LRPQGQCNFTEDYAEPFPIR IFMLLAGLPEEDIPHLKYLT DQMTRPDGSMTFAEAKEALY DYLIPIIEQRRQKPGTDAIS IVANGQVNGRPITSDEAKRM CGLLLVGGLDTVVNFLSFSM EFLAKSPEHRQELIERPERI PAACEELLRRFSLVADGRIL TSDYEFHGVQLKKGDQILLP QMLSGLDERENACPMHVDFS RQKVSHTTFGHGSHLCLGQH LARREIIVTLKEWLTRIPDF SIAPGAQIQHKSGIVSGVQA LPLVWDPATTKAV

Data sets:
Data typeCount
13C chemical shifts596
15N chemical shifts295
1H chemical shifts298

Additional metadata:

  • Assembly
  • Samples and Experiments
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  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1cytochrome P450cam1
2CAM3
3PROTOPORPHYRIN IX CONTAINING FE2

Entities:

Entity 1, cytochrome P450cam 413 residues - 45643.371 Da.

1   THRGLUTHRILEGLNSERASNALAASNLEU
2   ALAPROLEUPROPROHISVALPROGLUHIS
3   LEUVALPHEASPPHEASPMETTYRASNPRO
4   SERASNLEUSERALAGLYVALGLNGLUALA
5   TRPALAVALLEUGLNGLUSERASNVALPRO
6   ASPLEUVALTRPTHRARGCYSASNGLYGLY
7   HISTRPILEALATHRARGGLYGLNLEUILE
8   ARGGLUALATYRGLUASPTYRARGHISPHE
9   SERSERGLUCYSPROPHEILEPROARGGLU
10   ALAGLYGLUALATYRASPPHEILEPROTHR
11   SERMETASPPROPROGLUGLNARGGLNPHE
12   ARGALALEUALAASNGLNVALVALGLYMET
13   PROVALVALASPLYSLEUGLUASNARGILE
14   GLNGLULEUALACYSSERLEUILEGLUSER
15   LEUARGPROGLNGLYGLNCYSASNPHETHR
16   GLUASPTYRALAGLUPROPHEPROILEARG
17   ILEPHEMETLEULEUALAGLYLEUPROGLU
18   GLUASPILEPROHISLEULYSTYRLEUTHR
19   ASPGLNMETTHRARGPROASPGLYSERMET
20   THRPHEALAGLUALALYSGLUALALEUTYR
21   ASPTYRLEUILEPROILEILEGLUGLNARG
22   ARGGLNLYSPROGLYTHRASPALAILESER
23   ILEVALALAASNGLYGLNVALASNGLYARG
24   PROILETHRSERASPGLUALALYSARGMET
25   CYSGLYLEULEULEUVALGLYGLYLEUASP
26   THRVALVALASNPHELEUSERPHESERMET
27   GLUPHELEUALALYSSERPROGLUHISARG
28   GLNGLULEUILEGLUARGPROGLUARGILE
29   PROALAALACYSGLUGLULEULEUARGARG
30   PHESERLEUVALALAASPGLYARGILELEU
31   THRSERASPTYRGLUPHEHISGLYVALGLN
32   LEULYSLYSGLYASPGLNILELEULEUPRO
33   GLNMETLEUSERGLYLEUASPGLUARGGLU
34   ASNALACYSPROMETHISVALASPPHESER
35   ARGGLNLYSVALSERHISTHRTHRPHEGLY
36   HISGLYSERHISLEUCYSLEUGLYGLNHIS
37   LEUALAARGARGGLUILEILEVALTHRLEU
38   LYSGLUTRPLEUTHRARGILEPROASPPHE
39   SERILEALAPROGLYALAGLNILEGLNHIS
40   LYSSERGLYILEVALSERGLYVALGLNALA
41   LEUPROLEUVALTRPASPPROALATHRTHR
42   LYSALAVAL

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

1   CAM

Entity 2, PROTOPORPHYRIN IX CONTAINING FE - C34 H32 Fe N4 O4 - 616.487 Da.

1   HEM

Related Database Links:

BMRB 16753 19038 19740 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

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