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BMRB: 19945

2MOK

holo FldA

Authors

Jin, C., Hu, Y., Ye, Q.

Assembly

FldA in complex with flavin

Entity

1. FldA in complex with flavin, entity 1 (polymer), 176 monomers, 19736.70 Da Detail

MAITGIFFGS DTGNTENIAK MIQKQLGKDV ADVHDIAKSS KEDLEAYDIL LLGIPTWYYG EAQCDWDDFF PTLEEIDFNG KLVALFGCGD QEDYAEYFCD ALGTIRDIIE PRGATIVGHW PTAGYHFEAS KGLADDDHFV GLAIDEDRQP ELTAERVEKW VKQISEELHL DEILNA

2. FLAVIN MONONUCLEOTIDE (non-polymer), 456.344 Da

Total weight

20193.043 Da

Max. entity weight

19736.7 Da

Source organism

Escherichia coli

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.4 %, Completeness: 91.4 %, Completeness (bb): 98.9 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	91.4 % (1843 of 2016)	89.7 % (927 of 1034)	92.3 % (736 of 797)	97.3 % (180 of 185)
Backbone	98.9 % (1034 of 1046)	98.6 % (357 of 362)	99.0 % (508 of 513)	98.8 % (169 of 171)
Sidechain	85.6 % (968 of 1131)	84.8 % (570 of 672)	87.0 % (387 of 445)	78.6 % (11 of 14)
Aromatic	52.4 % (108 of 206)	54.4 % (56 of 103)	48.5 % (48 of 99)	100.0 % (4 of 4)
Methyl	98.5 % (195 of 198)	98.0 % (97 of 99)	99.0 % (98 of 99)

1. entity 1

MAITGIFFGS DTGNTENIAK MIQKQLGKDV ADVHDIAKSS KEDLEAYDIL LLGIPTWYYG EAQCDWDDFF PTLEEIDFNG KLVALFGCGD QEDYAEYFCD ALGTIRDIIE PRGATIVGHW PTAGYHFEAS KGLADDDHFV GLAIDEDRQP ELTAERVEKW VKQISEELHL DEILNA

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Concentration
1	Protein	[U-100% 15N]	1 mM
2	sodium phosphate	natural abundance	30 mM
3	DTT	natural abundance	40 mM
4	D2O	natural abundance	10 %
5	H2O	natural abundance	90 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Concentration
6	Protein	[U-100% 13C; U-100% 15N]	1 mM
7	sodium phosphate	natural abundance	30 mM
8	DTT	natural abundance	40 mM
9	D2O	natural abundance	10 %
10	H2O	natural abundance	90 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	internal	indirect	0.25145
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	internal	indirect	0.10133

Referencing offset: -0.19 ppm, Outliers: 4 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	internal	indirect	0.25145
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	internal	indirect	0.10133

Referencing offset: -0.19 ppm, Outliers: 4 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	internal	indirect	0.25145
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	internal	indirect	0.10133

Referencing offset: -0.08 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	internal	indirect	0.25145
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	internal	indirect	0.10133

Referencing offset: 0.02 ppm, Outliers: 2 Detail

Protein Blocks Logo

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

Release date

2015-05-17

Citation

NMR study of YqcA from Escherichia coli
Jin, C., Hu, Y., Ye, Q.
Biochem. J.

Related entities 1. FldA in complex with flavin, entity 1, : 1 : 2 : 2 : 69 entities Detail

Interaction partners 1. FldA in complex with flavin, entity 1, : 15 interactors Detail

More details for 15 interactors identified by 2 citations

Experiments performed 10 experiments Detail

1 2D 1H-15N HSQC