BMRB: 4300

1H , 13C, 15N Assigned Chemical Shifts for HPPK-AMPPCP Complex

Authors

Shi, G., Gao, J., Yan, H.

Assembly

HPPK-AMPPCP complex

Entity

1. 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase (polymer), 158 monomers, 17947.36 Da Detail

TVAYIAIGSN LASPLEQVNA ALKALGDIPE SHILTVSSFY RTPPLGPQDQ PDYLNAAVAL ETSLAPEELL NHTQRIELQQ GRVRKAERWG PRTLDLDIML FGNEVINTER LTVPHYDMKN RGFMLWPLFE IAPELVFPDG EMLRQILHTR AFDKLNKW

2. beta gamma-methyleneadenosine 5'triphosphate (non-polymer), 1 monomers, na Da
3. MAGNESIUM ION (non-polymer), 24.305 Da

Total weight

17971.664 Da

Max. entity weight

17947.36 Da

Source organism

Escherichia coli

Exptl. method

NMR

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.5 %, Completeness: 63.9 %, Completeness (bb): 72.9 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	63.9 % (1204 of 1883)	76.6 % (751 of 980)	42.2 % (312 of 739)	86.0 % (141 of 164)
Backbone	72.9 % (674 of 924)	92.3 % (288 of 312)	52.8 % (246 of 466)	95.9 % (140 of 146)
Sidechain	55.6 % (617 of 1109)	69.3 % (463 of 668)	36.2 % (153 of 423)	5.6 % (1 of 18)
Aromatic	2.8 % (4 of 144)	5.6 % (4 of 72)	0.0 % (0 of 69)	0.0 % (0 of 3)
Methyl	60.0 % (120 of 200)	82.0 % (82 of 100)	38.0 % (38 of 100)

1. 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase

TVAYIAIGSN LASPLEQVNA ALKALGDIPE SHILTVSSFY RTPPLGPQDQ PDYLNAAVAL ETSLAPEELL NHTQRIELQQ GRVRKAERWG PRTLDLDIML FGNEVINTER LTVPHYDMKN RGFMLWPLFE IAPELVFPDG EMLRQILHTR AFDKLNKW

Show sample condition

Sample #1

Temperature 298 (±0.2) K

#	Name	Isotope labeling	Type	Concentration
1	6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase	[U-15N]		1.5 mM
2	sodium phosphate			20 mM
3	B,r-Methyleneadenosine 5`-triphosphate			8 mM
4	Magnesium chloride			40 mM
5	H2O			90 %
6	D2O			10 %

Sample #2

Temperature 298 (±0.2) K

#	Name	Isotope labeling	Type	Concentration
7	6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase	[U-15N; U-13C]		1.5 mM
8	sodium phosphate			20 mM
9	B,r-Methyleneadenosine 5`-triphosphate			8 mM
10	Magnesium chloride			40 mM
11	H2O			90 %
12	D2O			10 %

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LACS Plot; CA

Referencing offset: -0.92 ppm, Outliers: 2 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
1H	H20	protons	4.7 ppm	null	null	0.0
13C	sodium acetate	methyl carbon	25.85 ppm	null	null	0.0
15N	ammonium chloride	nitrogen	78.98 ppm	null	null	0.0

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LACS Plot; CB

Referencing offset: -0.92 ppm, Outliers: 2 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
1H	H20	protons	4.7 ppm	null	null	0.0
13C	sodium acetate	methyl carbon	25.85 ppm	null	null	0.0
15N	ammonium chloride	nitrogen	78.98 ppm	null	null	0.0

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LACS Plot; HA

Referencing offset: 0.01 ppm, Outliers: 2 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
1H	H20	protons	4.7 ppm	null	null	0.0
13C	sodium acetate	methyl carbon	25.85 ppm	null	null	0.0
15N	ammonium chloride	nitrogen	78.98 ppm	null	null	0.0

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Protein Blocks Logo

Calculated from 21 models in PDB: 2F65, Strand ID: A Detail

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Release date

1999-08-11

Citation

1H, 13C and 15N resonance assignments of Escherichia coli 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase and its complex with MgAMPPCP
Shi, G., Gao, J., Yan, H.
J. Biomol. NMR (1999), 14, 189-190, PubMed 10427747 , DOI: , Abstract

Related entities 1. 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase, : 1 : 34 : 22 : 63 entities Detail

Interaction partners 1. 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase, : 1 interactors Detail

Experiments performed 1 experiments Detail