BMRB Entry 26750

Title:
Cytochrome P450 MycG
Deposition date:
2016-02-29
Original release date:
2017-08-11
Authors:
Tietz, Drew; Pochapsky, Thomas
Citation:

Citation: Tietz, Drew; Podust, Larissa; Sherman, David; Pochapsky, Thomas. "Solution Conformations and Dynamics of Substrate-Bound Cytochrome P450 MycG"  Biochemistry 56, 2701-2714 (2017).
PubMed: 28488849

Assembly members:

Assembly members:
MycG, polymer, 397 residues, Formula weight is not available
PROTOPORPHYRIN IX CONTAINING FE, non-polymer, 616.487 Da.
MYCINAMICIN IV, non-polymer, 695.880 Da.

Natural source:

Natural source:   Common Name: high GC Gram+   Taxonomy ID: 28040   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Micromonospora griseorubida

Experimental source:

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

Data sets:
Data typeCount
13C chemical shifts561
15N chemical shifts285
1H chemical shifts288

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1MycG1
2Heme2
3Mycinamicin IV3

Entities:

Entity 1, MycG 397 residues - Formula weight is not available

1   METTHRSERALAGLUPROARGALATYRPRO
2   PHEASNASPVALHISGLYLEUTHRLEUALA
3   GLYARGTYRGLYGLULEUGLNGLUTHRGLU
4   PROVALSERARGVALARGPROPROTYRGLY
5   GLUGLUALATRPLEUVALTHRARGTYRGLU
6   ASPVALARGALAVALLEUGLYASPGLYARG
7   PHEVALARGGLYPROSERMETTHRARGASP
8   GLUPROARGTHRARGPROGLUMETVALLYS
9   GLYGLYLEULEUSERMETASPPROPROGLU
10   HISSERARGLEUARGARGLEUVALVALLYS
11   ALAPHETHRALAARGARGALAGLUSERLEU
12   ARGPROARGALAARGGLUILEALAHISGLU
13   LEUVALASPGLNMETALAALATHRGLYGLN
14   PROALAASPLEUVALALAMETPHEALAARG
15   GLNLEUPROVALARGVALILECYSGLULEU
16   LEUGLYVALPROSERALAASPHISASPARG
17   PHETHRARGTRPSERGLYALAPHELEUSER
18   THRALAGLUVALTHRALAGLUGLUMETGLN
19   GLUALAALAGLUGLNALATYRALATYRMET
20   GLYASPLEUILEASPARGARGARGLYSGLU
21   PROTHRASPASPLEUVALSERALALEUVAL
22   GLNALAARGASPGLNGLNASPSERLEUSER
23   GLUGLNGLULEULEUASPLEUALAILEGLY
24   LEULEUVALALAGLYTYRGLUSERTHRTHR
25   THRGLNILEALAASPPHEVALTYRLEULEU
26   METTHRARGPROGLULEUARGARGGLNLEU
27   LEUASPARGPROGLULEUILEPROSERALA
28   VALGLUGLULEUTHRARGTRPVALPROLEU
29   GLYVALGLYTHRALAPHEPROARGTYRALA
30   VALGLUASPVALTHRLEUARGGLYVALTHR
31   ILEARGALAGLYGLUPROVALLEUALASER
32   THRGLYALAALAASNARGASPGLNALAGLN
33   PHEPROASPALAASPARGILEASPVALASP
34   ARGTHRPROASNGLNHISLEUGLYPHEGLY
35   HISGLYVALHISHISCYSLEUGLYALAPRO
36   LEUALAARGVALGLULEUGLNVALALALEU
37   GLUVALLEULEUGLNARGLEUPROGLYILE
38   ARGLEUGLYILEPROGLUTHRGLNLEUARG
39   TRPSERGLUGLYMETLEULEUARGGLYPRO
40   LEUGLULEUPROVALVALTRP

Entity 2, Heme - 616.487 Da.

1   HEM

Entity 3, Mycinamicin IV - 695.880 Da.

1   MIV

Samples:

sample_1: MycG, [U-13C; U-15N; U-2H], 0.4 mM; Heme 0.4 mM; mycinamycin IV 0.4 mM; H2O 90%; D2O 10%

sample_2: MycG, [U-13C; U-15N; U-2H], 0.4 mM; Heme 0.4 mM; mycinamycin IV 0.4 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 0.2 M; pH: 7.4; pressure: 1 atm; temperature: 298 K

sample_conditions_2: ionic strength: 0.2 M; pH: 7.4; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_2isotropicsample_conditions_2
3D HNCAsample_1isotropicsample_conditions_1
3D HNCAsample_2isotropicsample_conditions_2
3D HNCACBsample_1isotropicsample_conditions_1
3D HNCACBsample_2isotropicsample_conditions_2
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_2isotropicsample_conditions_2
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_2isotropicsample_conditions_2

Software:

SPARKY, Goddard - chemical shift assignment

NMR spectrometers:

  • Bruker Avance 800 MHz

Related Database Links:

UNP Q59523
PDB
AlphaFold Q59523

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