BMRB: 4603

Tertiary structure of apo-D-alanyl carrier protein

Authors

Volkman, B.F., Zhang, Q., Debabov, D.V., Rivera, E., Kresheck, G., Neuhaus, F.C.

Assembly

APO-D-ALANYL CARRIER PROTEIN

Entity

1. APO-D-ALANYL CARRIER PROTEIN (polymer, Thiol state: not present), 80 monomers, 8788.760 Da Detail

ADEAIKNGVL DILADLTGSD DVKKNLDLNL FETGLLDSMG TVQLLLELQS QFGVDAPVSE FDRKEWDTPN KIIAKVEQAQ

Formula weight

8788.76 Da

Source organism

Lacticaseibacillus casei

Exptl. method

NMR

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 99.1 %, Completeness (bb): 100.0 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	99.1 % (910 of 918)	99.8 % (473 of 474)	98.0 % (349 of 356)	100.0 % (88 of 88)
Backbone	100.0 % (476 of 476)	100.0 % (163 of 163)	100.0 % (235 of 235)	100.0 % (78 of 78)
Sidechain	98.5 % (509 of 517)	99.7 % (310 of 311)	96.4 % (189 of 196)	100.0 % (10 of 10)
Aromatic	81.0 % (34 of 42)	95.2 % (20 of 21)	65.0 % (13 of 20)	100.0 % (1 of 1)
Methyl	100.0 % (108 of 108)	100.0 % (54 of 54)	100.0 % (54 of 54)

1. APO-D-ALANYL CARRIER PROTEIN

ADEAIKNGVL DILADLTGSD DVKKNLDLNL FETGLLDSMG TVQLLLELQS QFGVDAPVSE FDRKEWDTPN KIIAKVEQAQ

Show sample condition

Sample

Temperature 298 K, pH 5.8

#	Name	Isotope labeling	Type	Concentration
1	APO-D-ALANYL CARRIER PROTEIN	[U-15N]		1.2 mM
2	phosphate			50 mM
3	H2O			90 %
4	D2O			10 %

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LACS Plot; CA

Referencing offset: -0.12 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
1H	DDS	methyl protons	0.0 ppm	external	direct	0.0
13C	DDS	methyl protons	0.0 ppm	external	indirect	0.2514495
15N	DDS	methyl protons	0.0 ppm	external	indirect	0.1013291

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LACS Plot; CB

Referencing offset: -0.12 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
1H	DDS	methyl protons	0.0 ppm	external	direct	0.0
13C	DDS	methyl protons	0.0 ppm	external	indirect	0.2514495
15N	DDS	methyl protons	0.0 ppm	external	indirect	0.1013291

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LACS Plot; HA

Referencing offset: 0.03 ppm, Outliers: 1 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
1H	DDS	methyl protons	0.0 ppm	external	direct	0.0
13C	DDS	methyl protons	0.0 ppm	external	indirect	0.2514495
15N	DDS	methyl protons	0.0 ppm	external	indirect	0.1013291

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LACS Plot; CO

Referencing offset: -0.38 ppm, Outliers: 3 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
1H	DDS	methyl protons	0.0 ppm	external	direct	0.0
13C	DDS	methyl protons	0.0 ppm	external	indirect	0.2514495
15N	DDS	methyl protons	0.0 ppm	external	indirect	0.1013291

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Protein Blocks Logo

Calculated from 30 models in PDB: 1DV5, Strand ID: A Detail

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Release date

2001-07-29

Citation

Biosynthesis of D-alanyl-lipoteichoic acid: the tertiary structure of apo-D-alanyl carrier protein
Volkman, B.F., Zhang, Q., Debabov, D.V., Rivera, E., Kresheck, G., Neuhaus, F.C.
Biochemistry (2001), 40, 7964-7972, PubMed 11434765 , DOI: , Abstract

Related entities 1. APO-D-ALANYL CARRIER PROTEIN, : 1 : 2 : 128 entities Detail

Experiments performed 3 experiments Detail