BMRB: 4299

1H, 13C and 15N Resonance Assignments of Escherichia coli 6-hydroxymethyl-7,8-dihydropterin Pyrophosphokinase and its Complex with MgAMPPCP

Authors

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

Assembly

6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase

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

Formula 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: 95.6 %, Completeness: 62.1 %, Completeness (bb): 72.2 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	62.1 % (1170 of 1883)	74.2 % (727 of 980)	41.9 % (310 of 739)	81.1 % (133 of 164)
Backbone	72.2 % (667 of 924)	88.8 % (277 of 312)	55.6 % (259 of 466)	89.7 % (131 of 146)
Sidechain	53.4 % (592 of 1109)	67.4 % (450 of 668)	33.1 % (140 of 423)	11.1 % (2 of 18)
Aromatic	2.8 % (4 of 144)	5.6 % (4 of 72)	0.0 % (0 of 69)	0.0 % (0 of 3)
Methyl	55.5 % (111 of 200)	83.0 % (83 of 100)	28.0 % (28 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, pH 7.4 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase	[U-15N]		1.5 mM
2	sodium phosphate			20 mM
3	H2O			90 %
4	D2O			10 %

Sample #2

Temperature 298 (±0.2) K, pH 7.4 (±0.2)

#	Name	Isotope labeling	Type	Concentration
5	6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase	[U-15N;U-13C]		1.5 mM
6	sodium phosphate			20 mM
7	H2O			90 %
8	D2O			10 %

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LACS Plot; CA

Referencing offset: -1.06 ppm, Outliers: 2 Detail

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Chemical shift reference

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

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LACS Plot; CB

Referencing offset: -1.06 ppm, Outliers: 2 Detail

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Chemical shift reference

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

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LACS Plot; HA

Referencing offset: 0.0 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
13C	sodium acetate	methyl carbon	25.85 ppm	null	null	0.0
1H	H20	protons	4.7 ppm	null	null	0.0
15N	ammonium chloride	ammonium	78.98 ppm	null	null	0.0

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Protein Blocks Logo

Calculated from 21 models in PDB: 2F63, 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