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Found 1 Document (0.887 seconds)

BMRB: 26750

5UHU

Cytochrome P450 MycG

Authors

Tietz, D.R., Pochapsky, T.C.

Assembly

MycG-MIV complex

Entity

1. MycG (polymer, Thiol state: all other bound), 397 monomers, 44330.97 Da Detail

MTSAEPRAYP FNDVHGLTLA GRYGELQETE PVSRVRPPYG EEAWLVTRYE DVRAVLGDGR FVRGPSMTRD EPRTRPEMVK GGLLSMDPPE HSRLRRLVVK AFTARRAESL RPRAREIAHE LVDQMAATGQ PADLVAMFAR QLPVRVICEL LGVPSADHDR FTRWSGAFLS TAEVTAEEMQ EAAEQAYAYM GDLIDRRRKE PTDDLVSALV QARDQQDSLS EQELLDLAIG LLVAGYESTT TQIADFVYLL MTRPELRRQL LDRPELIPSA VEELTRWVPL GVGTAFPRYA VEDVTLRGVT IRAGEPVLAS TGAANRDQAQ FPDADRIDVD RTPNQHLGFG HGVHHCLGAP LARVELQVAL EVLLQRLPGI RLGIPETQLR WSEGMLLRGP LELPVVW

2. PROTOPORPHYRIN IX CONTAINING FE (non-polymer), 616.487 Da
3. MYCINAMICIN IV (non-polymer), 695.880 Da

Total weight

45643.336 Da

Max. entity weight

44330.97 Da

Source organism

Micromonospora griseorubida

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 85.4 %, Completeness: 36.7 %, Completeness (bb): 56.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	36.7 % (1665 of 4532)	26.2 % (617 of 2356)	41.9 % (747 of 1781)	76.2 % (301 of 395)
Backbone	56.6 % (1317 of 2326)	47.0 % (373 of 794)	55.8 % (649 of 1163)	79.9 % (295 of 369)
Sidechain	23.9 % (616 of 2575)	15.6 % (244 of 1562)	37.1 % (366 of 987)	23.1 % (6 of 26)
Aromatic	7.2 % (19 of 264)	9.1 % (12 of 132)	3.9 % (5 of 127)	40.0 % (2 of 5)
Methyl	29.5 % (147 of 498)	26.5 % (66 of 249)	32.5 % (81 of 249)

1. MycG

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details oxidized (Fe+3) 0.4 mM MycG with substrate bound

#	Name	Isotope labeling	Concentration
1	MycG	[U-13C; U-15N; U-2H]	0.4 mM
2	Heme	natural abundance	0.4 mM
3	mycinamycin IV	natural abundance	0.4 mM
4	H2O	natural abundance	90 %
5	D2O	natural abundance	10 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details reduced (Fe+2) 0.4 mM MycG with substrate bound, carbonmonoxy-ligated heme

#	Name	Isotope labeling	Concentration
6	MycG	[U-13C; U-15N; U-2H]	0.4 mM
7	Heme	natural abundance	0.4 mM
8	mycinamycin IV	natural abundance	0.4 mM
9	H2O	natural abundance	90 %
10	D2O	natural abundance	10 %

Protein Blocks Logo

Calculated from 1 models in PDB: 5UHU, Strand ID: A Detail

Release date

2016-02-29

Citation

Solution Conformations and Dynamics of Substrate-Bound Cytochrome P450 MycG
Tietz, D.R., Podust, L.M., Sherman, D.H., Pochapsky, T.C.
Biochemistry (2017), 56, 2701-2714, PubMed 28488849 , DOI 10.1021/acs.biochem.7b00291 , Abstract

Related entities 1. MycG, : 1 : 7 : 2 : 183 entities Detail

Experiments performed 10 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details oxidized (Fe+3) 0.4 mM MycG with substrate bound

#	Name	Isotope labeling	Concentration
1	MycG	[U-13C; U-15N; U-2H]	0.4 mM
2	Heme	natural abundance	0.4 mM
3	mycinamycin IV	natural abundance	0.4 mM
4	H2O	natural abundance	90 %
5	D2O	natural abundance	10 %

2 2D 1H-15N HSQC

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 298 K, pH 7.4, Details reduced (Fe+2) 0.4 mM MycG with substrate bound, carbonmonoxy-ligated heme

#	Name	Isotope labeling	Concentration
6	MycG	[U-13C; U-15N; U-2H]	0.4 mM
7	Heme	natural abundance	0.4 mM
8	mycinamycin IV	natural abundance	0.4 mM
9	H2O	natural abundance	90 %
10	D2O	natural abundance	10 %

3 3D HNCA

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details oxidized (Fe+3) 0.4 mM MycG with substrate bound

#	Name	Isotope labeling	Concentration
1	MycG	[U-13C; U-15N; U-2H]	0.4 mM
2	Heme	natural abundance	0.4 mM
3	mycinamycin IV	natural abundance	0.4 mM
4	H2O	natural abundance	90 %
5	D2O	natural abundance	10 %

4 3D HNCA

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 298 K, pH 7.4, Details reduced (Fe+2) 0.4 mM MycG with substrate bound, carbonmonoxy-ligated heme

#	Name	Isotope labeling	Concentration
6	MycG	[U-13C; U-15N; U-2H]	0.4 mM
7	Heme	natural abundance	0.4 mM
8	mycinamycin IV	natural abundance	0.4 mM
9	H2O	natural abundance	90 %
10	D2O	natural abundance	10 %

5 3D HNCACB

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details oxidized (Fe+3) 0.4 mM MycG with substrate bound

#	Name	Isotope labeling	Concentration
1	MycG	[U-13C; U-15N; U-2H]	0.4 mM
2	Heme	natural abundance	0.4 mM
3	mycinamycin IV	natural abundance	0.4 mM
4	H2O	natural abundance	90 %
5	D2O	natural abundance	10 %

6 3D HNCACB

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 298 K, pH 7.4, Details reduced (Fe+2) 0.4 mM MycG with substrate bound, carbonmonoxy-ligated heme

#	Name	Isotope labeling	Concentration
6	MycG	[U-13C; U-15N; U-2H]	0.4 mM
7	Heme	natural abundance	0.4 mM
8	mycinamycin IV	natural abundance	0.4 mM
9	H2O	natural abundance	90 %
10	D2O	natural abundance	10 %

7 3D HN(CO)CA

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details oxidized (Fe+3) 0.4 mM MycG with substrate bound

#	Name	Isotope labeling	Concentration
1	MycG	[U-13C; U-15N; U-2H]	0.4 mM
2	Heme	natural abundance	0.4 mM
3	mycinamycin IV	natural abundance	0.4 mM
4	H2O	natural abundance	90 %
5	D2O	natural abundance	10 %

8 3D HN(CO)CA

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 298 K, pH 7.4, Details reduced (Fe+2) 0.4 mM MycG with substrate bound, carbonmonoxy-ligated heme

#	Name	Isotope labeling	Concentration
6	MycG	[U-13C; U-15N; U-2H]	0.4 mM
7	Heme	natural abundance	0.4 mM
8	mycinamycin IV	natural abundance	0.4 mM
9	H2O	natural abundance	90 %
10	D2O	natural abundance	10 %

9 3D 1H-15N NOESY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details oxidized (Fe+3) 0.4 mM MycG with substrate bound

#	Name	Isotope labeling	Concentration
1	MycG	[U-13C; U-15N; U-2H]	0.4 mM
2	Heme	natural abundance	0.4 mM
3	mycinamycin IV	natural abundance	0.4 mM
4	H2O	natural abundance	90 %
5	D2O	natural abundance	10 %

10 3D 1H-15N NOESY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 298 K, pH 7.4, Details reduced (Fe+2) 0.4 mM MycG with substrate bound, carbonmonoxy-ligated heme

#	Name	Isotope labeling	Concentration
6	MycG	[U-13C; U-15N; U-2H]	0.4 mM
7	Heme	natural abundance	0.4 mM
8	mycinamycin IV	natural abundance	0.4 mM
9	H2O	natural abundance	90 %
10	D2O	natural abundance	10 %

nullKeywords antibiotic biosynthesis, heme protein, metalloenzyme

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Found 1 Document (0.887 seconds)

BMRB: 26750

Sample #1

Sample #2

Related entities 1. MycG, : 1 : 7 : 2 : 183 entities Detail

Experiments performed 10 experiments Detail

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