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BMRB: 27284

6OCV

Backbone and side chain resonance assignment of the H-NOX domain from Shewanella woodyi in the Fe(II)CO ligation state

Authors

Montfort, W.R., Chen, C.

Assembly

SWHNOX-HEME-CO

Entity

1. SWHNOX (polymer, Thiol state: all free), 190 monomers, 21747.34 Da Detail

MMGMVFTGLM ELIEDEFGYE TLDTLLESCE LQSEGIYTSV GSYDHQELLQ LVVKLSEVSS VPVTELVRLF GKKLFVELIE GHPEIANEMK DSFDLLSKID SFIHVEVYKL YPQAELPKFT CDRLGDNDIR LHYQSKRPFA SFAEGLLDGC AEYFKEDFTI SRTPETQDSE TDVIFNITRA PRGAENLYFQ

2. SWHNOX-HEME-CO, entity HEM (non-polymer), 616.487 Da
3. SWHNOX-HEME-CO, entity CMO (non-polymer), 28.010 Da

Total weight

22391.836 Da

Max. entity weight

21747.34 Da

Source organism

Shewanella woodyi

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.9 %, Completeness: 82.1 %, Completeness (bb): 97.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	82.1 % (1846 of 2249)	83.9 % (976 of 1163)	77.5 % (691 of 892)	92.3 % (179 of 194)
Backbone	97.4 % (1097 of 1126)	96.6 % (371 of 384)	97.9 % (547 of 559)	97.8 % (179 of 183)
Sidechain	71.0 % (924 of 1302)	77.7 % (605 of 779)	62.3 % (319 of 512)	0.0 % (0 of 11)
Aromatic	38.6 % (81 of 210)	58.1 % (61 of 105)	19.0 % (20 of 105)
Methyl	74.5 % (161 of 216)	92.6 % (100 of 108)	56.5 % (61 of 108)

1. SWHNOX

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293.15 K, pH 7.5, Details Sample was reduced by dithionite and saturated with CO

#	Name	Isotope labeling	Type	Concentration
1	SWHNOX	[U-13C; U-15N]		0.9 (±0.1) mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.84 ppm	internal	direct	0.0
¹H	water	protons	4.84 ppm	internal	direct	1.0
¹⁵N	water	protons	4.84 ppm	internal	direct	0.0

Referencing offset: -0.08 ppm, Outliers: 3 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.84 ppm	internal	direct	0.0
¹H	water	protons	4.84 ppm	internal	direct	1.0
¹⁵N	water	protons	4.84 ppm	internal	direct	0.0

Referencing offset: -0.08 ppm, Outliers: 3 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.84 ppm	internal	direct	0.0
¹H	water	protons	4.84 ppm	internal	direct	1.0
¹⁵N	water	protons	4.84 ppm	internal	direct	0.0

Referencing offset: -0.01 ppm, Outliers: 2 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.84 ppm	internal	direct	0.0
¹H	water	protons	4.84 ppm	internal	direct	1.0
¹⁵N	water	protons	4.84 ppm	internal	direct	0.0

Referencing offset: -0.09 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 6OCV, Strand ID: A Detail

Release date

2017-10-15

Citation

Discovery of stimulator binding to a conserved pocket in the heme domain of soluble guanylyl cyclase
Wales, J.A., Chen, C.Y., Breci, L., Weichsel, A., Bernier, S.G., Sheppeck, J.E., Solinga, R., Nakai, T., Renhowe, P.A., Jung, J., Montfort, W.R.
J. Biol. Chem. (2017), 293, 1850-1864, PubMed 29222330 , DOI 10.1074/jbc.RA117.000457 , Abstract