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BMRB: 17806

2LGE

NMR structure of the calcium-bound form of the protein YP_001302112.1 from Parabacteroides distasonis

Authors

Serrano, P., Geralt, M., Mohanty, B., Wuthrich, K.

Assembly

YP 001302112.1

Entity

1. YP 001302112.1, entity (polymer, Thiol state: all free), 129 monomers, 13866.26 Da Detail

KDDDEPGGKG AMYEVTIEQS GDFRSFIKSV VVVANGTQLK DGATGESLAS PVILSDEELA VEKVTLSTTG KAIEFAVSGG VVDGEDGVVN EPMQWVVTVY KNGKEIEKKS LVFRDGKEIS TDDLNLYYN

2. CA (non-polymer, Thiol state: not present), 40.078 Da

Total weight

13906.338 Da

Max. entity weight

13866.26 Da

Source organism

Parabacteroides distasonis

Exptl. method

solution NMR

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 95.3 %, Completeness (bb): 97.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	95.3 % (1364 of 1431)	95.0 % (698 of 735)	94.8 % (532 of 561)	99.3 % (134 of 135)
Backbone	97.5 % (749 of 768)	97.8 % (263 of 269)	96.8 % (361 of 373)	99.2 % (125 of 126)
Sidechain	93.6 % (728 of 778)	93.3 % (435 of 466)	93.7 % (284 of 303)	100.0 % (9 of 9)
Aromatic	90.5 % (76 of 84)	92.9 % (39 of 42)	87.8 % (36 of 41)	100.0 % (1 of 1)
Methyl	97.4 % (150 of 154)	96.1 % (74 of 77)	98.7 % (76 of 77)

1. entity

KDDDEPGGKG AMYEVTIEQS GDFRSFIKSV VVVANGTQLK DGATGESLAS PVILSDEELA VEKVTLSTTG KAIEFAVSGG VVDGEDGVVN EPMQWVVTVY KNGKEIEKKS LVFRDGKEIS TDDLNLYYN

Show sample condition

Sample

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Concentration
1	YP_001302112.1	[U-98% 13C; U-98% 15N]	1.2 mM
2	calcium chloride	natural abundance	10 mM
3	sodium chloride	natural abundance	25 mM
4	sodium phosphate	natural abundance	20 mM
5	sodium azide	natural abundance	5 mM
6	H2O	natural abundance	95 %
7	D2O	natural abundance	5 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 2.62 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 2.62 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.05 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 3.14 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2LGE, Strand ID: A Detail

Release date

2011-08-25

Citation

NMR structure of the calcium-bound form of the protein YP_001302112.1 from Parabacteroides distasonis
Serrano, P., Geralt, M., Mohanty, B., Wuthrich, K.
Not known

Related entities 1. YP 001302112.1, entity, : 1 : 1 entities Detail

Experiments performed 7 experiments Detail

1 2D 1H-15N HSQC